02302nas a2200253   4500008004100000022001400041245009500055210006900150260011100219300001400330490000700344520138000351653001801731653002901749653002401778653000801802653000801810100001501818700001601833700003301849700001801882700002101900856012701921       2014                        eng d  a1570-180800aPharmacokinetic modeling of caco-2 cell permeability using genetic programming (GP) method0 aPharmacokinetic modeling of caco2 cell permeability using geneti  aEXECUTIVE STE Y-2, PO BOX 7917, SAIF ZONE, 1200 BR SHARJAH, U ARAB EMIRATESbBENTHAM SCIENCE PUBL LTDcNOV  a1112-11180 v113 a<p>An accurate prediction of the pharmacokinetic properties of orally administered drugs is of paramount importance in pharmaceutical industry. Caco-2 cell permeability is a well established parameter for assessing the drug absorption profiles of lead molecules. Due to the restrictions on animal testing, prohibitive in situ models and ethical issues, the development of predictive models is essential. Genetic programming (GP) is an artificial intelligence (AI)-based exclusively data driven modeling paradigm. Given an example input-output data, it searches and optimizes, both the structure and parameters of a well fitting linear/non-linear input-output model. Despite this novelty, GP has not been widely exploited in drug design. Accordingly, in this study we propose a GP based approach for the in silico prediction of Caco-2 cell permeability using a diverse set of molecules. The predictions yielded a high magnitude for the training and test set correlation coefficient with low RMSE, indicating accurate Caco-2 permeability prediction and generalization performance by the GP model. The predictions were better or comparable to artificial neural networks (ANN) and support vector regression (SVR) methods. The GP based modeling approach illustrated will find diverse applications in (QSAR, QSPR and QSTR) modeling for the virtual screening of large libraries.</p>10aADME modeling10aCaco-2 cell permeability10agenetic programming10aMLP10aSVR1 aVyas, Renu1 aGoel, Purva1 aKarthikeyan, Muthukumarasamy1 aTambe, S., S.1 aKulkarni, B., D.  uhttps://library.ncl.res.in/content/pharmacokinetic-modeling-caco-2-cell-permeability-using-genetic-programming-gp-method-0