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Journal of Computer-Aided Molecular Design|November 22, 2011
Is there a future for computational chemistry in drug research?Gerald M MaggioraJournal of Computer-Aided Molecular Design|June 24, 2011
The reductionist paradox: are the laws of chemistry and physics sufficient for the discovery of new drugs?Gerald M MaggioraMethods in Molecular Biology (Clifton, N.J.)|September 15, 2010
Molecular similarity measuresGerald M Maggiora, Veerabahu ShanmugasundaramJournal of Computer-Aided Molecular Design|June 14, 2014
Chemical space networks: a powerful new paradigm for the description of chemical spaceGerald M Maggiora, Jürgen BajorathMethods in Molecular Biology (Clifton, N.J.)|May 14, 2004
Molecular similarity measuresGerald M Maggiora, Veerabahu ShanmugasundaramJournal of Chemical Information and Modeling|June 8, 2007
Molecular basis sets - a general similarity-based approach for representing chemical spacesAkshay S Raghavendra, Gerald M MaggioraJournal of Computer-Aided Molecular Design|January 9, 2013
Activity cliffs in PubChem confirmatory bioassays taking inactive compounds into accountYe Hu, Gerald M Maggiora, Jürgen BajorathJournal of Medicinal Chemistry|September 17, 2004
Assessment of the consistency of medicinal chemists in reviewing sets of compoundsMichael S Lajiness, Gerald M Maggiora, Veerabahu ShanmugasundaramJournal of Medicinal Chemistry|January 7, 2005
Hit-directed nearest-neighbor searchingVeerabahu Shanmugasundaram, Gerald M Maggiora, Michael S LajinessJournal of Molecular Modeling|May 13, 2005
Evaluating molecular similarity using reduced representations of the electron densityNathalie Meurice, Gerald M Maggiora, Daniel P VercauterenPageof 11