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Journal of Chemical Information and Modeling|April 27, 2023
p<i>K</i><sub>50</sub>─A Rigorous Indicator of Individual Functional Group Acidity/Basicity in Multiprotic CompoundsRobert Fraczkiewicz, Marvin WaldmanJournal of Computer-Aided Molecular Design|August 21, 2015
Tales from the war on error: the art and science of curating QSAR dataMarvin Waldman, Robert Fraczkiewicz, Robert D ClarkHandbook of Experimental Pharmacology|August 31, 2015
Using Cheminformatics in Drug DiscoveryMichael S Lawless, Marvin Waldman, Robert Fraczkiewicz, et al.Methods in Molecular Biology (Clifton, N.J.)|June 18, 2016
Modeling ADMETJayeeta Ghosh, Michael S Lawless, Marvin Waldman, et al.Journal of Cheminformatics|July 3, 2014
Using beta binomials to estimate classification uncertainty for ensemble modelsRobert D Clark, Wenkel Liang, Adam C Lee, et al.Journal of Medicinal Chemistry|October 1, 2025
What, This "Base" Is Not a Base? Common Misconceptions about Aqueous Ionization That May Hinder Drug Discovery and DevelopmentRobert FraczkiewiczACS Physical Chemistry Au|November 30, 2023
Can an Amine Be a Weaker and a Stronger Base at the Same Time? Curious Cases of Chameleonic IonizationRobert FraczkiewiczPhysical Chemistry Chemical Physics : PCCP|April 8, 2025
Thermodynamics-informed neural networks and extensive data sets: key factors to accurate blind predictions of apparent p<i>K</i><sub>a</sub> values in the euroSAMPL challengeRobert FraczkiewiczJournal of Computer-Aided Molecular Design|December 14, 2011
Lions and tigers and bears, oh my! Three barriers to progress in computer-aided molecular designRobert D Clark, Marvin WaldmanPageof 2