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Methods in Molecular Biology (Clifton, N.J.)|July 24, 2012
Predictive cheminformatics in drug discovery: statistical modeling for analysis of micro-array and gene expression dataN Sukumar, Michael P Krein, Mark J EmbrechtsThe Journal of Physical Chemistry. A|September 3, 2011
Exploration of the topology of chemical spaces with network measuresMichael P Krein, N SukumarFuture Medicinal Chemistry|November 20, 2012
Graphs and networks in chemical and biological informatics: past, present and futureN Sukumar, Michael P KreinJournal of Computer-Aided Molecular Design|September 19, 2003
New developments in PEST shape/property hybrid descriptorsCurt M Breneman, C Matthew Sundling, N Sukumar, et al.Drug Metabolism and Disposition: the Biological Fate of Chemicals|December 5, 2006
Classification of metabolites with kernel-partial least squares (K-PLS)Mark J Embrechts, Sean EkinsJournal of Chemical Information and Computer Sciences|March 23, 2004
Predicting protein-ligand binding affinities using novel geometrical descriptors and machine-learning methodsWei Deng, Curt Breneman, Mark J EmbrechtsBioinformatics (Oxford, England)|June 12, 2010
PESDserv: a server for high-throughput comparison of protein binding site surfacesSourav Das, Michael P Krein, Curt M BrenemanJournal of Chemical Information and Modeling|January 26, 2010
Binding affinity prediction with property-encoded shape distribution signaturesSourav Das, Michael P Krein, Curt M BrenemanComputers in Biology and Medicine|June 14, 2008
Identification of ischemic heart disease via machine learning analysis on magnetocardiogramsTanawut Tantimongcolwat, Thanakorn Naenna, Chartchalerm Isarankura-Na-Ayudhya, et al.Drug Development Research|September 9, 2014
Network measures for chemical library designNagamani Sukumar, Michael P Krein, Ganesh Prabhu, et al.Pageof 6