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Molecular Informatics|July 28, 2016
Best Practices for QSAR Model Development, Validation, and ExploitationAlexander TropshaExperientia Supplementum (2012)|September 5, 2012
Recent trends in statistical QSAR modeling of environmental chemical toxicityAlexander TropshaCurrent Opinion in Drug Discovery & Development|August 4, 2009
Recent trends in computer-aided drug discoveryA TropshaPacific Symposium on Biocomputing. Pacific Symposium on Biocomputing|January 1, 1997
A new approach to protein fold recognition based on Delaunay tessellation of protein structureW Zheng, S J Cho, I I Vaisman, et al.Journal of Chemical Information and Computer Sciences|August 12, 1999
Rational combinatorial library design. 3. Simulated annealing guided evaluation (SAGE) of molecular diversity: a novel computational tool for universal library design and database miningW Zheng, S J Cho, C L Waller, et al.Pacific Symposium on Biocomputing. Pacific Symposium on Biocomputing|January 1, 1996
Statistical geometry analysis of proteins: implications for inverted structure predictionA Tropsha, R K Singh, I I Vaisman, et al.SAR and QSAR in Environmental Research|April 23, 2005
QSAR modeling of datasets with enantioselective compounds using chirality sensitive molecular descriptorsA Kovatcheva, A Golbraikh, S Oloff, et al.Journal of Chemical Information and Modeling|June 1, 2005
kappa Nearest neighbors QSAR modeling as a variational problem: theory and applicationsPeter Itskowitz, Alexander TropshaCurrent Pharmaceutical Design|January 29, 2008
Predictive QSAR modeling workflow, model applicability domains, and virtual screeningAlexander Tropsha, Alexander GolbraikhMolecular Diversity|January 29, 2003
Predictive QSAR modeling based on diversity sampling of experimental datasets for the training and test set selectionAlexander Golbraikh, Alexander TropshaPageof 33,890