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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 Development
Robert Fraczkiewicz
ACS Physical Chemistry Au
|
November 30, 2023
Can an Amine Be a Weaker and a Stronger Base at the Same Time? Curious Cases of Chameleonic Ionization
Robert Fraczkiewicz
Physical 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 challenge
Robert Fraczkiewicz
Molecular Informatics
|
March 20, 2025
Modeling Carbon Basicity
Robert Fraczkiewicz, Marvin Waldman
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 Compounds
Robert Fraczkiewicz, Marvin Waldman
Journal of Computer-Aided Molecular Design
|
August 21, 2015
Tales from the war on error: the art and science of curating QSAR data
Marvin Waldman, Robert Fraczkiewicz, Robert D Clark
Handbook of Experimental Pharmacology
|
August 31, 2015
Using Cheminformatics in Drug Discovery
Michael S Lawless, Marvin Waldman, Robert Fraczkiewicz, et al.
Methods in Molecular Biology (Clifton, N.J.)
|
June 18, 2016
Modeling ADMET
Jayeeta Ghosh, Michael S Lawless, Marvin Waldman, et al.
Journal of Cheminformatics
|
July 3, 2014
Using beta binomials to estimate classification uncertainty for ensemble models
Robert D Clark, Wenkel Liang, Adam C Lee, et al.
Journal of Chemical Information and Modeling
|
December 17, 2014
Best of both worlds: combining pharma data and state of the art modeling technology to improve in Silico pKa prediction
Robert Fraczkiewicz, Mario Lobell, Andreas H Göller, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 12) with videos related to
Sort By:
Page
of 2
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 Development
Robert Fraczkiewicz
ACS Physical Chemistry Au
|
November 30, 2023
Can an Amine Be a Weaker and a Stronger Base at the Same Time? Curious Cases of Chameleonic Ionization
Robert Fraczkiewicz
Physical 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 challenge
Robert Fraczkiewicz
Molecular Informatics
|
March 20, 2025
Modeling Carbon Basicity
Robert Fraczkiewicz, Marvin Waldman
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 Compounds
Robert Fraczkiewicz, Marvin Waldman
Journal of Computer-Aided Molecular Design
|
August 21, 2015
Tales from the war on error: the art and science of curating QSAR data
Marvin Waldman, Robert Fraczkiewicz, Robert D Clark
Handbook of Experimental Pharmacology
|
August 31, 2015
Using Cheminformatics in Drug Discovery
Michael S Lawless, Marvin Waldman, Robert Fraczkiewicz, et al.
Methods in Molecular Biology (Clifton, N.J.)
|
June 18, 2016
Modeling ADMET
Jayeeta Ghosh, Michael S Lawless, Marvin Waldman, et al.
Journal of Cheminformatics
|
July 3, 2014
Using beta binomials to estimate classification uncertainty for ensemble models
Robert D Clark, Wenkel Liang, Adam C Lee, et al.
Journal of Chemical Information and Modeling
|
December 17, 2014
Best of both worlds: combining pharma data and state of the art modeling technology to improve in Silico pKa prediction
Robert Fraczkiewicz, Mario Lobell, Andreas H Göller, et al.
Page
of 2