02240nas a2200193   4500008004100000022001400041245016000055210006900215260007100284300001200355490000700367520142600374100003301800700001701833700002401850700002001874700002301894856012901917       2008                        eng d  a1549-959600aDistributed chemical computing using chemstar: an open source java remote method invocation architecture applied to large scale molecular data from pubchem0 aDistributed chemical computing using chemstar an open source jav  a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcAPR  a691-7030 v483 a<p>present the application of a Java remote method invocation (RMI) based open source architecture to distributed chemical computing. This architecture was previously employed for distributed data harvesting of chemical information from the Internet via the Google application programming interface (API; ChemXtreme). Due to its open source character and its flexibility, the underlying server/client framework can be quickly adopted to virtually every computational task that can be parallelized. Here, we present the server/client communication framework as well as an application to distributed computing of chemical properties on a large scale (currently the size of PubChem; about 18 million compounds), using both the Marvin toolkit as well as the open source JOELib package. As an application, for this set of compounds, the agreement of log P and TPSA between the packages was compared. Outliers were found to be mostly non-druglike compounds and differences could usually be explained by differences in the underlying algorithms. ChemStar is the first open source distributed chemical computing environment built on Java RMI, which is also easily adaptable to user demands due to its ``plug-in architecture''. The complete source codes as well as calculated properties along with links to PubChem resources are available on the Internet via a graphical user interface at http://moltable.nel.res.in/chemstar/.</p>1 aKarthikeyan, Muthukumarasamy1 aKrishnan, S.1 aPandey, Anil, Kumar1 aBender, Andreas1 aTropsha, Alexander  uhttps://library.ncl.res.in/content/distributed-chemical-computing-using-chemstar-open-source-java-remote-method-invocation-0