02577nas a2200277 4500008004100000022001400041245008200055210006900137260009900206300001200305490000700317520157600324653003001900653003201930653003601962100002401998700001802022700002202040700001902062700001602081700002202097700002002119700002302139700002602162856011102188 2007 eng d a0016-236100aEstimation of gross calorific value of coals using artificial neural networks0 aEstimation of gross calorific value of coals using artificial ne aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLANDbELSEVIER SCI LTDcFEB a334-3440 v863 a

The gross calorific value (GCV) is an important property defining the energy content and thereby efficiency of fuels, such as coals. There exist a number of correlations for estimating the GCV of a coal sample based upon its proximate and/or ultimate analyses. These correlations are mainly linear in character although there are indications that the relationship between the GCV and a few constituents of the proximate and ultimate analyses could be nonlinear. Accordingly, in this paper a total of seven nonlinear models have been developed using the artificial neural networks (ANN) methodology for the estimation of GCV with a special focus on Indian coals. The comprehensive ANN model developed here uses all the major constituents of the proximate and ultimate analyses as inputs while the remaining six sub-models use different combinations of the constituents of the stated analyses. It has been found that the GCV prediction accuracy of all the models is excellent with the comprehensive model being the most accurate GCV predictor. Also, the performance of the ANN models has been found to be consistently better than that of their linear counterparts. Additionally, a sensitivity analysis of the comprehensive ANN model has been performed to identify the important model inputs, which significantly affect the GCV. The ANN-based modeling approach illustrated in this paper is sufficiently general and thus can be gainfully extended for estimating the GCV of a wide spectrum of solid, liquid and gaseous fuels. (c) 2006 Elsevier Ltd. All rights reserved.

10aArtificial neural network10agross calorific value (GCV)10aproximate and ultimate analyses1 aPatel, Shagufta, U.1 aKumar, Jeevan1 aBadhe, Yogesh, P.1 aSharma, B., K.1 aSaha, Sujan1 aBiswas, Subhasish1 aChaudhury, Asim1 aTambe, Sanjeev, S.1 aKulkarni, Bhaskar, D. uhttps://library.ncl.res.in/content/estimation-gross-calorific-value-coals-using-artificial-neural-networks02613nas a2200265 4500008004100000022001400041245009200055210006900147260007300216300001200289490000800301520170400309653001402013653001302027653001502040653001702055653001302072100002502085700002202110700002202132700002202154700002302176700002602199856012202225 2007 eng d a0376-738800aGas sorption and transport in polyarylates: effect of substituent symmetry and polarity0 aGas sorption and transport in polyarylates effect of substituent aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcOCT a244-2510 v3033 a

The gas sorption properties of polyarylates based on bisphenol-A possessing symmetric/asymmetric substitution by nonpolar -CH3 group and symmetrically linked terephthalic acid were examined. The effects of substitution of polar bromine on terephalic acid moiety of polyarylate based on asymmetrically substituted bisphenol were also studied for physical, sorption and transport properties. The estimation of dual mode sorption parameters, solubility and diffusion coefficient revealed that nature of the substituent and substitution type plays a crucial role in depicting permeation properties. An asymmetric substitution by -CH3 group increased solubility coefficient of pure gases (N-2, O-2, CH4 and CO2) up to 27% and symmetric substitution increased the same up to 106%. This was coupled with 7-35% increase in solubility selectivity in both cases of substitution, which ascertained the usefulness of methyl group substitution in polyarylates based on terephalic acid. The pressure dependency of solubility coefficients and solubility selectivity was also investigated for these polyarylates. The sorption and transport properties of these polyarylates correlated well with physical properties of polyarylates and gases studied. The sorption/desorption kinetics of symmetrically substituted TMBisA-T was performed in order to deduce time dependent sorption behavior and to evaluate diffusivity coefficient. The apparent diffusion coefficients from sorption kinetics, desorption kinetics and from steady-states permeation-sorption were compared. The diffusion coefficients of CH4 and N-2 deduced by these methods correlated well with each other. (C) 2007 Elsevier B.V. All rights reserved.

10aDiffusion10akinetics10apermeation10apolyarylates10aSorption1 aKaradkar, Prasad, B.1 aKharul, Ulhas, K.1 aBhole, Yogesh, S.1 aBadhe, Yogesh, P.1 aTambe, Sanjeev, S.1 aKulkarni, Bhaskar, D. uhttps://library.ncl.res.in/content/gas-sorption-and-transport-polyarylates-effect-substituent-symmetry-and-polarity-002276nas a2200241 4500008004100000022001400041245010500055210006900160260009900229300001200328490000700340520134900347653002401696653002301720653002301743653002401766100002301790700002201813700001901835700002301854700002601877856013101903 2011 eng d a0016-236100aClassification of Indian power coals using K-means clustering and self organizing map neural network0 aClassification of Indian power coals using Kmeans clustering and aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLANDbELSEVIER SCI LTDcJAN a339-3470 v903 a

The present study reports results of the classification of Indian coals used in thermal power stations across India. For classifying these power coals a classical unsupervised clustering technique, namely ``K-Means Clustering'' and an artificial intelligence (AI) based nonlinear clustering formalism known as ``Self-Organizing Map (SOM)'' have been used for the first time. To conduct the said classification, five coal descriptor variables namely moisture, ash, volatile matter, carbon and gross calorific value (GCV) have been used. The classification results thereof indicate that Indian power coals from different geographical origins can be classified optimally into seven classes. It has also been found that the K-means and SOM based classification results exhibit similarity in close to 75% coal samples. Further, K-means and SOM based seven coal categories have been compared with as many grades of a commonly employed Useful Heat Value (UHV) based Indian non-coking coal grading system. Here, it was observed that a number of UHV-based grades exhibit similarity with the categories identified by the K-means and SOM methods. The classification of Indian power coals as provided here can be gainfully used in selecting application-specific coals as also in their grading and pricing. (C) 2010 Elsevier Ltd. All rights reserved.

10aCoal classification10aIndian power coals10aK-means clustering10aSelf-Organizing Map1 aPandit, Yogesh, P.1 aBadhe, Yogesh, P.1 aSharma, B., K.1 aTambe, Sanjeev, S.1 aKulkarni, Bhaskar, D. uhttps://library.ncl.res.in/content/classification-indian-power-coals-using-k-means-clustering-and-self-organizing-map-neural-002522nas a2200265 4500008004100000022001400041245011700055210006900172260009500241300001400336490000700350520150500357653003001862653003101892653001801923653002301941653002501964100001801989700002902007700002202036700002402058700002302082700002602105856012502131 2014 eng d a0263-876200aBiodegradable iron chelate for H2S abatement: modeling and optimization using artificial intelligence strategies0 aBiodegradable iron chelate for H2S abatement modeling and optimi a165-189 RAILWAY TERRACE, DAVIS BLDG, RUGBY CV21 3HQ, ENGLANDbINST CHEMICAL ENGINEERScJUN a1119-11320 v923 a

A batch reactor process for the abatement of a common pollutant, namely, H2S using Fe3+-malic acid chelate (Fe3+-MA) catalyst has been developed. Further, process modeling and optimization was conducted in the three stages with a view to maximize the H2S conversion: (i) sensitivity analysis of process inputs was performed to select the most influential process operating variables and parameters, (ii) an artificial neural network (ANN)-based data-driven process model was developed using the influential process variables and parameters as model inputs, and H2S conversion (%) as the model output, and (iii) the input space of the ANN model was optimized using the artificial immune systems (AIS) formalism. The AIS is a recently proposed stochastic nonlinear search and optimization method based on the human biological immune system and has been introduced in this study for chemical process optimization. The AIS-based optimum process conditions have been compared with those obtained using the genetic algorithms (GA) formalism. The AIS-optimized process conditions leading to high (approximate to 97%) H2S conversion, were tested experimentally and the results obtained thereby show an excellent match with the AIS-maximized H2S conversion. It was also observed that the AIS required lesser number of generations and function evaluations to reach the convergence when compared with the GA. (C) 2013 The Institution of Chemical Engineers. Published by Elsevier B.V. All rights reserved.

10aArtificial immune systems10aArtificial neural networks10aBatch reactor10aGenetic algorithms10aSensitivity analysis1 aHamid, Aashti1 aDeshpande, Aniruddha, S.1 aBadhe, Yogesh, P.1 aBarve, Prashant, P.1 aTambe, Sanjeev, S.1 aKulkarni, Bhaskar, D. uhttps://library.ncl.res.in/content/biodegradable-iron-chelate-h2s-abatement-modeling-and-optimization-using-artificial-002602nas a2200229 4500008004100000022001400041245007800055210006900133260007300202300001100275490000700286520181600293653002802109653002102137653002602158653001102184653001302195653001202208100001802220700002302238856011102261 2014 eng d a1369-703X00aSoft-sensor development for biochemical systems using genetic programming0 aSoftsensor development for biochemical systems using genetic pro aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcAPR a89-1000 v853 a

Soft-sensors are software based process monitoring systems/models. In real-time they estimate those process variables, which are difficult to measure online or whose measurement by analytical procedures is tedious and time-consuming. In this study, the genetic programming (GP), an artificial intelligence based data-driven modeling formalism, has been introduced for the development of soft-sensors for biochemical processes. The novelty of the GP is that given example input-output data, it searches and optimizes both the form (structure) and parameters of an appropriate linear/nonlinear data-fitting model. In this study, GP-based soft-sensors have been developed for two bioprocesses, namely extracellular production of lipase enzyme and bacterial production of poly(3-hydroxybutyrate-co-3-hydroxyvalerate) copolymer. While in case study-I, the soft-sensor predicts the time-dependent lipase activity (U/ml), in case study-II it predicts the amount of accumulated polyhydroxyalkanoates (% dcw). The prediction and generalization performance of the GP-based soft-sensors was compared with the corresponding multi-layer perceptron (MLP) neural network and support vector regression (SVR) based soft-sensors. This comparison indicates that in the first case study the GP-based soft-sensor with the training and test set correlation coefficient (root-mean-squared-error) magnitudes of >0.96 (approximate to 0.962 U/ml) has clearly outperformed the two other soft-sensors. In case study-II involving bacterial copolymer production, the GP and SVR based soft-sensors have performed equally well (correlation coefficient approximate to 0.98) while the MLP based soft-sensor's performance was relatively inferior (correlation coefficient approximate to 0.94). (C) 2014 Elsevier B.V. All rights reserved.

10aArtificial intelligence10aBatch processing10aBioprocess monitoring10aLipase10aModeling10asensors1 aSharma, Suraj1 aTambe, Sanjeev, S. uhttps://library.ncl.res.in/content/soft-sensor-development-biochemical-systems-using-genetic-programming-003061nas a2200265 4500008004100000022001400041245012400055210006900179260007300248300001100321490000900332520205300341653002802394653002302422653002402445653002702469653002602496653005102522100001602573700001802589700001502607700001802622700002302640856013202663 2015 eng d a0021-967300aGenetic programming based quantitative structure-retention relationships for the prediction of Kovats retention indices0 aGenetic programming based quantitative structureretention relati aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcNOV a98-1090 v14203 a

The development of quantitative structure-retention relationships (QSRR) aims at constructing an appropriate linear/nonlinear model for the prediction of the retention behavior (such as Kovats retention index) of a solute on a chromatographic column. Commonly, multi-linear regression and artificial neural networks are used in the QSRR development in the gas chromatography (GC). In this study, an artificial intelligence based data-driven modeling formalism, namely genetic programming (GP), has been introduced for the development of quantitative structure based models predicting Kovats retention indices (KRI). The novelty of the GP formalism is that given an example dataset, it searches and optimizes both the form (structure) and the parameters of an appropriate linear/nonlinear data-fitting model. Thus, it is not necessary to pre-specify the form of the data-fitting model in the GP-based modeling. These models are also less complex, simple to understand, and easy to deploy. The effectiveness of GP in constructing QSRRs has been demonstrated by developing models predicting KRIs of light hydrocarbons (case study-I) and adamantane derivatives (case study-II). In each case study, two-, three- and four-descriptor models have been developed using the KRI data available in the literature. The results of these studies clearly indicate that the GP-based models possess an excellent KRI prediction accuracy and generalization capability. Specifically, the best performing four-descriptor models in both the case studies have yielded high (>0.9) values of the coefficient of determination (R-2) and low values of root mean squared error (RMSE) and mean absolute percent error (MAPE) for training, test and validation set data. The characteristic feature of this study is that it introduces a practical and an effective GP-based method for developing QSRRs in gas chromatography that can be gainfully utilized for developing other types of data-driven models in chromatography science. (C) 2015 Elsevier B.V. All rights reserved.

10aArtificial intelligence10aGas chromatography10agenetic programming10aKovats retention index10aMolecular descriptors10aQuantitative structure-retention relationships1 aGoel, Purva1 aBapat, Sanket1 aVyas, Renu1 aTambe, Amruta1 aTambe, Sanjeev, S. uhttps://library.ncl.res.in/content/genetic-programming-based-quantitative-structure-retention-relationships-prediction-kovats-002540nas a2200301 4500008004100000022001400041245008400055210006900139260011100208300001200319490000700331520149700338653001701835653001801852653002301870653002301893653002401916653001301940653001401953653001401967653002201981100003302003700001502036700002302051700002402074700002602098856011402124 2015 eng d a1386-207300aRole of chemical reactivity and transition state modeling for virtual screening0 aRole of chemical reactivity and transition state modeling for vi aEXECUTIVE STE Y-2, PO BOX 7917, SAIF ZONE, 1200 BR SHARJAH, U ARAB EMIRATESbBENTHAM SCIENCE PUBL LTDcJAN a638-6570 v183 a

Every drug discovery research program involves synthesis of a novel and potential drug molecule utilizing atom efficient, economical and environment friendly synthetic strategies. The current work focuses on the role of the reactivity based fingerprints of compounds as filters for virtual screening using a tool ChemScore. A reactant-like (RLS) and a product-like (PLS) score can be predicted for a given compound using the binary fingerprints derived from the numerous known organic reactions which capture the molecule-molecule interactions in the form of addition, substitution, rearrangement, elimination and isomerization reactions. The reaction fingerprints were applied to large databases in biology and chemistry, namely ChEMBL, KEGG, HMDB, DSSTox, and the Drug Bank database. A large network of 1113 synthetic reactions was constructed to visualize and ascertain the reactant product mappings in the chemical reaction space. The cumulative reaction fingerprints were computed for 4000 molecules belonging to 29 therapeutic classes of compounds, and these were found capable of discriminating between the cognition disorder related and anti-allergy compounds with reasonable accuracy of 75% and AUC 0.8. In this study, the transition state based fingerprints were also developed and used effectively for virtual screening in drug related databases. The methodology presented here provides an efficient handle for the rapid scoring of molecular libraries for virtual screening.

10afingerprints10aintermediates10ametabolic pathways10aproduct-like score10areactant-like score10areaction10ascreening10asynthesis10avirtual screening1 aKarthikeyan, Muthukumarasamy1 aVyas, Renu1 aTambe, Sanjeev, S.1 aRadhamohan, Deepthi1 aKulkarni, Bhaskar, D. uhttps://library.ncl.res.in/content/role-chemical-reactivity-and-transition-state-modeling-virtual-screening-002881nas a2200325 4500008004100000022001400041245011500055210006900170260011100239300001200350490000700362520173200369653001702101653001902118653001902137653002002156653003402176653001602210653001502226653002102241653001802262653001602280100001502296700001802311700001502329700002302344700003302367700002602400856012902426 2015 eng d a1386-207300aStudy of applications of machine learning based classification methods for virtual screening of lead molecules0 aStudy of applications of machine learning based classification m aEXECUTIVE STE Y-2, PO BOX 7917, SAIF ZONE, 1200 BR SHARJAH, U ARAB EMIRATESbBENTHAM SCIENCE PUBL LTDcAUG a658-6720 v183 a

The ligand-based virtual screening of combinatorial libraries employs a number of statistical modeling and machine learning methods. A comprehensive analysis of the application of these methods for the diversity oriented virtual screening of biological targets/drug classes is presented here. A number of classification models have been built using three types of inputs namely structure based descriptors, molecular fingerprints and therapeutic category for performing virtual screening. The activity and affinity descriptors of a set of inhibitors of four target classes DHFR, COX, LOX and NMDA have been utilized to train a total of six classifiers viz. Artificial Neural Network (ANN), k nearest neighbor (k-NN), Support Vector Machine (SVM), Naive Bayes (NB), Decision Tree - (DT) and Random Forest - (RF). Among these classifiers, the ANN was found as the best classifier with an AUC of 0.9 irrespective of the target. New molecular fingerprints based on pharmacophore, toxicophore and chemophore (PTC), were used to build the ANN models for each dataset. A good accuracy of 87.27% was obtained using 296 chemophoric binary fingerprints for the COX-LOX inhibitors compared to pharmacophoric (67.82 %) and toxicophoric (70.64 %). The methodology was validated on the classical Ames mutagenecity dataset of 4337 molecules. To evaluate it further, selectivity and promiscuity of molecules from five drug classes viz. anti-anginal, anti-convulsant, anti-depressant, anti-arrhythmic and anti-diabetic were studied. The TPC fingerprints computed for each category were able to capture the drug-class specific features using the k-NN classifier. These models can be useful for selecting optimal molecules for drug design.

10aAnti-anginal10aanti-arrythmic10aanti-bacterial10aanti-convulsant10aanti-depressant anti-diabetic10abinary QSAR10achemophore10amachine learning10apharmacophore10atoxicophore1 aVyas, Renu1 aBapat, Sanket1 aJain, Esha1 aTambe, Sanjeev, S.1 aKarthikeyan, Muthukumarasamy1 aKulkarni, Bhaskar, D. uhttps://library.ncl.res.in/content/study-applications-machine-learning-based-classification-methods-virtual-screening-lead-002012nas a2200205 4500008004100000020002200041245014000063210006900203260013600272300001200408520107600420653002801496653002401524653002901548653002701577653002701604100002301631700002301654856012901677 2016 eng d a978-1-4673-7993-900aDevelopment of genetic programming based softsensor model for styrene polymerization process and its application in model based control0 aDevelopment of genetic programming based softsensor model for st a345 E 47th ST, New York, NY 10017 USAbIEEE Control Syst Soc; Honeywell; Mathworks; ABB R & D Div; GE; Mahindra Ecole CentralecJAN a238-2443 a

In recent years, soft sensors have been established as a valuable alternative to the traditional hardware sensors for the acquisition of critical information regarding ``difficult-to-measure'' process variables and/or parameters in chemical process monitoring and control. Soft sensors can also be modified as a novel process identification tool for process monitoring and model based control. Often, in polymer industries the main polymerization reaction is highly nonlinear and complex to model accurately by the conventional ``first principles'' approach. In such cases, genetic programming (GP)-a novel artificial intelligence-based exclusively data driven modeling technique-can be employed for process identification. In this work GP-based soft sensors have been developed for a continuous styrene polymerization reactor. The resulting GP-based models (soft sensor) showed high prediction and generalization performances. The best performing model was successfully utilized in designing a model predictive control (MPC) scheme for the polymerization reactor.

10aArtificial intelligence10agenetic programming10aModel Predictive Control10aprocess identification10aStyrene Polymerization1 aGhugare, Suhas, B.1 aTambe, Sanjeev, S. uhttps://library.ncl.res.in/content/development-genetic-programming-based-softsensor-model-styrene-polymerization-process-and02624nas a2200265 4500008004100000022001400041245016000055210006900215260008600284300001400370490000800384520154200392653003901934653002501973653002401998653004102022653003002063653003202093100002402125700001602149700002202165700002302187700002602210856012202236 2016 eng d a0098-644500aHigh ash char gasification in thermo-gravimetric analyzer and prediction of gasification performance parameters using computational intelligence formalisms0 aHigh ash char gasification in thermogravimetric analyzer and pre a530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USAbTAYLOR & FRANCIS INCcJAN a1029-10440 v2033 a

The coal gasification is a cleaner and more efficient process than the coal combustion. Although high ash coals are commonly utilized in the energy generation, systematic gasification kinetic studies using chars derived from these coals are scarce. Accordingly, this paper reports the development of the data-driven models for the gasification of chars derived from the high ash coals. Specifically, the models predict two important gasification performance parameters, viz. gasification rate constant and reactivity index. These models have been constructed using three computational intelligence (CI) methods, namely genetic programming (GP), multilayer perceptron (MLP) neural network (NN), and support vector regression (SVR). The inputs to the CI-based models consist of seven parameters representing the gasification reaction conditions and properties of high ash coals and chars. The data used in the modeling were collected by performing extensive gasification experiments in the CO2 atmosphere in a thermo-gravimetric analyzer (TGA) using char samples derived from the Indian coals containing high ash content. Values of the two gasification performance parameters were obtained by fitting the experimental data to the shrinking unreacted core (SUC) model. It has been observed that all the CI-based models possess an excellent prediction accuracy and generalization capability. Accordingly, these models can be gainfully employed in the design and operation of the fixed and fluidized bed gasifiers using high ash coals.

10aChar gasification kinetic modeling10aData-driven modeling10agenetic programming10aMultilayer perceptron neural network10asupport vector regression10aThermo-gravimetric analyzer1 aPatil-Shinde, Veena1 aSaha, Sujan1 aSharma, Bijay, K.1 aTambe, Sanjeev, S.1 aKulkarni, Bhaskar, D. uhttps://library.ncl.res.in/content/high-ash-char-gasification-thermo-gravimetric-analyzer-and-prediction-gasification02412nas a2200289 4500008004100000022001400041245015200055210006900207260007900276300001200355490000700367520132100374653002401695653003401719653002401753653002101777653002401798100001801822700002401840700001701864700002701881700001501908700002301923700001901946700002601965856013101991 2016 eng d a2194-574800aPrediction of reactivity ratios in free radical copolymerization from monomer resonance-polarity (Q-e) parameters: genetic programming-based models0 aPrediction of reactivity ratios in free radical copolymerization aGENTHINER STRASSE 13, D-10785 BERLIN, GERMANYbWALTER DE GRUYTER GMBHcFEB a361-3720 v143 a

The principal deficiency of the widely utilized Alfrey-Price (AP) scheme for computing reactivity ratios in the widely used free radical copolymerization is that it ignores important factors, such as the steric effects. This often leads to inaccurate reactivity ratio predictions by AP model. Accordingly, in this study, exclusively data-driven, Q-e parameter-based new models have been developed for the reactivity ratio prediction in free radical copolymerization. In the model development, a novel artificial intelligence formalism known as ``genetic programming (GP)'' that performs symbolic regression has been employed. The GP-based models possess a different functional form than AP model. Further, parameters of GP-based models were fine-tuned using Levenberg-Marquardt (LM) nonlinear regression method. A comparison of AP, GP and GP-LM as well as artificial neural network (ANN)-based models indicates that GP and GP-LM models exhibit superior reactivity ratio prediction accuracy and generalization performance (with correlation coefficient magnitudes close to or greater than 0.9) when compared with AP and ANN models. The GPbased reactivity ratio prediction models developed here due to their higher accuracy and generalization capability have the potential of replacing the widely used AP models.

10aAlfrey-Price scheme10afree radical copolymerization10agenetic programming10areactivity ratio10asymbolic regression1 aShrinivas, K.1 aKulkarni, Rahul, P.1 aShaikh, Saif1 aGhorpade, Ravindra, V.1 aVyas, Renu1 aTambe, Sanjeev, S.1 aPonrathnam, S.1 aKulkarni, Bhaskar, D. uhttps://library.ncl.res.in/content/prediction-reactivity-ratios-free-radical-copolymerization-monomer-resonance-polarity-q-e-102333nas a2200229 4500008004100000020002200041245010100063210006900164260013600233300001200369520139300381653001801774653002401792653002301816653002701839653002501866100002001891700001601911700002401927700002301951856012901974 2016 eng d a978-1-4673-7993-900aUse genetic programming for selecting predictor variables and modeling in process identification0 aUse genetic programming for selecting predictor variables and mo a345 E 47th ST, New York, NY 10017 USAbIEEE Control Syst Soc; Honeywell; Mathworks; ABB R & D Div; GE; Mahindra Ecole CentralecJAN a230-2373 a

Availability of an accurate and robust dynamic model is essential for implementing the model dependent process control. When first principles based modeling becomes difficult, tedious and/or costly, a dynamic model in the black-box form is obtained (process identification) by using the measured input-output process data. Such a dynamic model frequently contains a number of time delayed inputs and outputs as predictor variables. The determination of the specific predictor variables is usually done via a trial and error approach that requires an extensive computational effort. The computational intelligence (CI) based data-driven modeling technique, namely, genetic programming (GP) can search and optimize both the structure and parameters of a linear/nonlinear dynamic process model. It is also capable of choosing those predictor variables that significantly influence the model output. Thus usage of GP for process identification helps in avoiding the extensive time and efforts involved in the selection of the time delayed input-output variables. This advantageous GP feature has been illustrated in this study by conducting process identification of two chemical engineering systems. The results of the GP-based identification when compared with those obtained using the transfer function based identification clearly indicates the outperformance by the former method.

10adynamic model10agenetic programming10apredictor variable10aprocess identification10aSensitivity analysis1 aVerma, Devendra1 aGoel, Purva1 aPatil-Shinde, Veena1 aTambe, Sanjeev, S. uhttps://library.ncl.res.in/content/use-genetic-programming-selecting-predictor-variables-and-modeling-process-identification02350nas a2200145 4500008004100000245015500041210006900196260000800265300001200273490000700285520173400292100002302026700002302049856013202072 2017 eng d00aGenetic programming based high performing correlations for prediction of higher heating value of coals of different ranks and from diverse geographies0 aGenetic programming based high performing correlations for predi cJUN a476-4840 v903 a

The higher heating value (HHV) is the most important indicator of a coal's potential energy yield. It is commonly used in the efficiency and optimal design calculations pertaining to the coal combustion and gasification processes. Since the experimental determination of coal's HHV is tedious and time-consuming, a number of proximate and/or ultimate analyses based correlations which are mostly linear have been proposed for its estimation. Owing to the fact that relationships between some of the constituents of the proximate/ultimate analyses and the HHV are nonlinear, the linear models make suboptimal predictions. Also, a majority of the currently available HHV models are restricted to the coals of specific ranks or particular geographical regions. Accordingly, in this study three proximate and ultimate analysis based nonlinear correlations have been developed for the prediction of HHV of coals by utilizing the computational intelligence (CI) based genetic programming (GP) formalism. Each of these correlations possesses following noteworthy characteristics: (i) the highest HHV prediction accuracy and generalization capability as compared to the existing models, (ii) wider applicability for coals of different ranks and from diverse geographies, and (iii) structurally lower complex than the other CI-based existing HHV models. It may also be noted that in this study, the GP technique has been used for the first time for developing coal specific HHV models. Owing to the stated attractive features, the GP-based models proposed here possess a significant potential to replace the existing models for predicting the HHV of coals. (C) 2016 Energy Institute. Published by Elsevier Ltd. All rights reserved.

1 aGhugare, Suhas, B.1 aTambe, Sanjeev, S. uhttps://library.ncl.res.in/content/genetic-programming-based-high-performing-correlations-prediction-higher-heating-value-coals02420nas a2200169 4500008004100000245015100041210006900192260000800261300001200269490000700281520175000288100001602038700001902054700002402073700002302097856013002120 2017 eng d00aPrediction of degrees API values of crude oils by use of saturates/aromatics/resins/ asphaltenes analysis: computational-intelligence-based models0 aPrediction of degrees API values of crude oils by use of saturat cJUN a817-8530 v223 aThe degrees API value is an important physicochemical characteristic of crude oils often used in determining their properties and quality. There exist models-predominantly linear ones-for predicting the degrees API magnitude from the molecular composition of a crude oil. This approach is tedious and time-consuming because it requires quantitative determination of numerous crude-oil components. Usually, the hydrocarbons present in a crude oil are grouped according to their molecular average structures into saturates, aromatics, resins, and asphaltenes (SARA) fractions. An degrees API-value prediction model dependent on these four fractions is relatively easier to develop, although this approach has been rarely used. A rigorous scrutiny suggests that some of the dependencies between the individual SARA fractions and the corresponding degrees API value could be nonlinear. Accordingly, in this study, SARA-fraction-based nonlinear models have been developed for the prediction of values using three computational-intelligence (CI) formalisms: genetic programming (GP), artificialneural networks (ANNs), and support-vector regression (SVR). The SARA analyses and degrees API values of 403 crude-oil samples covering wide ranges have been used in developing these models. A comparison of the CI-based models with an existing linear model indicates that all the former class of models possess a significantly better degrees API-value prediction and generalization performance than those exhibited by the linear model. Also, the SVR-based model has been found to be the most accurate degrees API-value predictor. Because of their better prediction accuracy, CI-based models can be gainfully used to predict degrees API values of crude oils.1 aGoel, Purva1 aSaurabh, Kumar1 aPatil-Shinde, Veena1 aTambe, Sanjeev, S. uhttps://library.ncl.res.in/content/prediction-degrees-api-values-crude-oils-use-saturatesaromaticsresins-asphaltenes-analysis02246nas a2200289 4500008004100000022001400041245013800055210006900193260000800262300001000270490000700280520126700287653001901554653001101573653001201584653002401596653002101620653003301641653002401674100001501698700001801713700001601731700003301747700002301780700002601803856012701829 2018 eng d a1545-596300aApplication of genetic programming (GP) formalism for building disease predictive models from protein-protein interactions (PPI) data0 aApplication of genetic programming GP formalism for building dis cFEB a27-370 v153 a

Protein-protein interactions (PPIs) play a vital role in the biological processes involved in the cell functions and disease pathways. The experimental methods known to predict PPIs require tremendous efforts and the results are often hindered by the presence of a large number of false positives. Herein, we demonstrate the use of a new Genetic Programming (GP) based Symbolic Regression (SR) approach for predicting PPIs related to a disease. In this case study, a dataset consisting of 135 PPI complexes related to cancer was used to construct a generic PPI predicting model with good PPI prediction accuracy and generalization ability. A high correlation coefficient (CC) magnitude of 0.893, and low root mean square error (RMSE), and mean absolute percentage error (MAPE) values of 478.221 and 0.239, respectively, were achieved for both the training and test set outputs. To validate the discriminatory nature of the model, it was applied on a dataset of diabetes complexes where it yielded significantly low CC values. Thus, the GP model developed here serves a dual purpose: (a) a predictor of the binding energy of cancer related PPI complexes, and (b) a classifier for discriminating PPI complexes related to cancer from those of other diseases.

10aBinding energy10acancer10aDisease10agenetic programming10amachine learning10aprotein-protein interactions10asymbolic regression1 aVyas, Renu1 aBapat, Sanket1 aGoel, Purva1 aKarthikeyan, Muthukumarasamy1 aTambe, Sanjeev, S.1 aKulkarni, Bhaskar, D. uhttps://library.ncl.res.in/content/application-genetic-programming-gp-formalism-building-disease-predictive-models-protein02503nas a2200289 4500008004100000022001400041245014800055210007100203260000800274300000900282490000700291520147100298653003101769653002001800653003101820653002701851653002401878653003001902100002001932700002301952700002401975700001601999700001902015700001802034700002302052856013802075 2018 eng d a1877-264100aCo-gasification of high ash coal–biomass blends in a fluidized bed gasifier: experimental study and computational intelligence-based modeling0 aCogasification of high ash coal–biomass blends in a fluidized be cJUN a1-190 v113 aCo-gasification (COG) is a clean-coal technology that uses a binary blend of coal and biomass for generating the product gas; it is environment-friendly since it emits lesser quantities of pollutants compared to the coal gasification process. Although coals found in many countries contain high percentages of ash, co-gasification studies involving such coals, and the process modeling thereof, are rare. Accordingly, this study presents results of the co-gasification experiments conducted in a fluidized-bed gasifier (FBG) pilot plant using as a feed the blends of high ash Indian coals with three biomasses, namely, rice husk, press mud, and sawdust. Since the underlying physicochemical phenomena are complex and nonlinear, modeling of the COG process has been performed using three computational intelligence (CI)-based methods namely, genetic programming, artificial neural networks, and support vector regression. Each of these formalisms was employed separately to develop models predicting four COG performance variables, namely, total gas yield, carbon conversion efficiency, heating value of product gas, and cold gas efficiency. All the CI-based models exhibit an excellent prediction accuracy and generalization performance. The co-gasification experiments and their modeling presented here for a pilot-plant FBG can be gainfully utilized in the efficient design and operation of the corresponding commercial scale co-gasifiers utilizing high ash coals.10aArtificial neural networks10aCo-gasification10aComputational intelligence10aFluidized bed gasifier10agenetic programming10asupport vector regression1 aTiwary, Shishir1 aGhugare, Suhas, B.1 aChavan, Prakash, D.1 aSaha, Sujan1 aDatta, Sudipta1 aSahu, Gajanan1 aTambe, Sanjeev, S. uhttps://library.ncl.res.in/content/co-gasification-high-ash-coal%E2%80%93biomass-blends-fluidized-bed-gasifier-experimental-study-and02365nas a2200145 4500008004100000245008000041210006900121260000800190300001000198490000700208520184900215100002402064700002302088856010802111 2018 eng d00aGenetic programming based models for prediction of vapor-liquid equilibrium0 aGenetic programming based models for prediction of vaporliquid e cMAR a68-800 v603 aThe design, operation, and control of chemical separation processes heavily rely on the knowledge of the vapor liquid equilibrium (VLE). Often, conducting experiments to gain an insight into the separation behavior becomes tedious and expensive. Thus, standard thermodynamic models are used in the VLE prediction. Sometimes, exclusively data-driven models are also used in VLE prediction although this method too possesses drawbacks such as a trial and error approach in specifying the data-fitting function. For overcoming these difficulties, this paper employs a machine learning (ML) formalism namely "genetic programming (GP)" possessing certain attractive features for the VLE prediction. Specifically, three case studies have been performed wherein GP-based models have been developed using experimental data, for predicting the vapor phase composition of a ternary, and a group of non ideal binary systems. The inputs to models consists of three pure component attributes (acentric factor, critical temperature, and critical pressure), and as many intensive thermodynamic parameters (liquid phase composition, pressure, and temperature). A comparison of the VLE prediction and generalization performance of the GP-based models with the corresponding standard thermodynamic models reveals that the former class of models possess either superior or closely comparable performance vis-a-vis thermodynamic models. Noteworthy features of this study are: (i) a single GP-based model can predict VLE of a group of binary systems, and (ii) applicability of a GP-based model trained on an alcohol-acetate series data for its higher homolog. The VLE modeling approach exemplified here can be gainfully extended to other ternary and non-ideal binary systems, and for designing corresponding experiments in different pressure and temperature ranges.1 aPatil-Shinde, Veena1 aTambe, Sanjeev, S. uhttps://library.ncl.res.in/content/genetic-programming-based-models-prediction-vapor-liquid-equilibrium02221nas a2200205 4500008004100000245008400041210007100125260000800196300001400204490000700218520153200225100002001757700002301777700002401800700001601824700001901840700001801859700002301877856011501900 2020 eng d00aCo-gasification of high ash coal–biomass blends in a fluidized bed gasifier: 0 aCogasification of high ash coal–biomass blends in a fluidized be cJAN a323–3410 v113 a

Co-gasification (COG) is a clean-coal technology that uses a binary blend of coal and biomass for generating the product gas; it is environment-friendly since it emits lesser quantities of pollutants compared to the coal gasification process. Although coals found in many countries contain high percentages of ash, co-gasification studies involving such coals, and the process modeling thereof, are rare. Accordingly, this study presents results of the co-gasification experiments conducted in a fluidized-bed gasifier (FBG) pilot plant using as a feed the blends of high ash Indian coals with three biomasses, namely, rice husk, press mud, and sawdust. Since the underlying physicochemical phenomena are complex and nonlinear, modeling of the COG process has been performed using three computational intelligence (CI)-based methods namely, genetic programming, artificial neural networks, and support vector regression. Each of these formalisms was employed separately to develop models predicting four COG performance variables, namely, total gas yield, carbon conversion efficiency, heating value of product gas, and cold gas efficiency. All the CI-based models exhibit an excellent prediction accuracy and generalization performance. The co-gasification experiments and their modeling presented here for a pilot-plant FBG can be gainfully utilized in the efficient design and operation of the corresponding commercial scale co-gasifiers utilizing high ash coals.

1 aTiwary, Shishir1 aGhugare, Suhas, B.1 aChavan, Prakash, D.1 aSaha, Sujan1 aDatta, Sudipta1 aSahu, Gajanan1 aTambe, Sanjeev, S. uhttps://library.ncl.res.in/content/co-gasification-high-ash-coal%E2%80%93biomass-blends-fluidized-bed-gasifier