ChemAxon

cheminformatics #cheminformatics #usugm14 #eugm14 #cheminformatics chemistry cheminformatic #eugm15 #chemaxon it structure file chemaxon java net toolkit chemical compound database markush virtual screening chemical editor applet transform informatic smiles smarts fingerprint molecule bond drug discovery property calculation format bean mrv representation cartridge drawing generation atom #jchemcartridge text mining reaction mapping chemical data jchem cartridge chemical search medicinal chemistry name to structure structures 3d reaction canonicalization business rules graph jchem component marvinsketch marvinview mcs link stereochemistry chemistry education chemical intelligence chemistry analysis chemical patent markush structure macromolecule editing bioinformatics #embl-ebi #surechembl #markush #bi #chemcurator #evotec #plexus #instantjchem #bssn #analysis #design #gsk #egis #comcix instantjchem #eugm14 molecular libraries biologics helm conformation plugin metabolizer chemical re compound library databas sharepoint microsoft sharepoint jchem web services jchem base compound registration chemical structures crais board database management web application plexus jchem for excel acs national meeting spring 2011 anaheim document to structure synonym text search web page parse chemicalizeorg chemical structure search structure based prediction chemical structure image accessible you others canonicalize enter/edit report build etc search export existing already exist typically accessed fail pass using option duplicate property specified read modes input two values key primary cd_id returns default rings breaking disallow configurable integration pipeline pilot knime spotfire manipulation conversions name image searching with ....? without db access enables write scripts validate modify api terms standardizer hundred popular functions batch conversion restoration renovation migration oracle integrate relational management handling patent variation position node http://www.chemaxon.com/product/standardizer.html here! see details abbreviated groups autorecognition map numbers automapping electron arrows flow 2d clean aromatization virtual technology information hub local apache based calculation base registration transformation mesomers tautomers salts solvents databases latest editing display major microspecies burden distribution eigenvalue descriptor (bcut) conformer formats visualization enumeration searchinggeneric r-groups lists substructure