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Author Details

Eric Gifford
Merck Research Laboratories, Merck & Co.
1991
19
13
Ying Ding (CM4AI)
PMIDPaper TitleJournal TitlePublished Year
31975583Correction to Extreme Gradient Boosting as a Method for Quantitative Structure-Activity Relationships.J Chem Inf Model2020
27958738Extreme Gradient Boosting as a Method for Quantitative Structure-Activity Relationships.J Chem Inf Model2016
26505644Analysis of the ToxCast Chemical-Assay Space Using the Comparative Toxicogenomics Database.Chem Res Toxicol2015
22222943Systems chemical biology and the Semantic Web: what they mean for the future of drug discovery research.Drug Discov Today2012
21903625Comparing bioassay response and similarity ensemble approaches to probing protein pharmacology.Bioinformatics2011
20683645Chemical space: missing pieces in cheminformatics.Pharm Res2010
20693417Using open source computational tools for predicting human metabolic stability and additional absorption, distribution, metabolism, excretion, and toxicity properties.Drug Metab Dispos2010
19116953The development and validation of a computational model to predict rat liver microsomal clearance.J Pharm Sci2009
17629304In silico prediction of ionization constants of drugs.Mol Pharm2007
15809315Development of CYP3A4 inhibition models: comparisons of machine-learning techniques and molecular descriptors.J Biomol Screen2005
15067690Implementation of an ADME enabling selection and visualization tool for drug discovery.J Pharm Sci2004
15141126Prediction of drug-like molecular properties: modeling cytochrome p450 interactions.Methods Mol Biol2004
12612645ADMET in silico modelling: towards prediction paradise?Nat Rev Drug Discov2003
14529504In silico ADME prediction: data, models, facts and myths.Mini Rev Med Chem2003
10816012Improved QSARs for predictive toxicology of halogenated hydrocarbons.Comput Chem2000
8779224Modelling the relative metabolic occurrence of alkyl-nitrogen bond cleavage using structure-reactivity maps.Xenobiotica1995
8790642An analysis of the relative occurrence of N-demethylation and N-oxidation in xenobiotic metabolism using structure-reactivity maps.SAR QSAR Environ Res1994
1474108Visualizing relative occurrences in metabolic transformations of xenobiotics using structure-activity maps.J Chem Inf Comput Sci1992
1686617A graph-theoretic approach to modeling metabolic pathways.J Comput Aided Mol Des1991
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