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Abbreviation : ISE
Long Form : iterative stochastic elimination
No. Year Title Co-occurring Abbreviation
2019 Discovering highly selective and diverse PPAR-delta agonists by ligand based machine learning and structural modeling. ---
2016 Computational Discovery and Experimental Confirmation of TLR9 Receptor Antagonist Leads. PRRs, TLR
2016 Discovering Novel and Diverse Iron-Chelators in Silico. VS
2014 Computer-aided design of liposomal drugs: In silico prediction and experimental validation of drug candidates for liposomal remote loading. k-NN, QSPR
2014 Sequential application of ligand and structure based modeling approaches to index chemicals for their hH4R antagonism. GPCR, hH4R, ILE
2013 Indexing molecules for their hERG liability. AUC, ETI, hERG
2011 Molecular properties from conformational ensembles. 1. Dipole moments of molecules with multiple internal rotations. ---
2010 Predicting oral druglikeness by iterative stochastic elimination. OB-DLI
2008 High quality binding modes in docking ligands to proteins. PTT
10  2007 Constructing ensembles of flexible fragments in native proteins by iterative stochastic elimination is relevant to protein-protein interfaces. BS, FF, UbS