Learning Medicinal Chemistry Absorption, Distribution, Metabolism, Excretion, and Toxicity (ADMET) Rules from Cross-Company Matched Molecular Pairs Analysis (MMPA)

Journal of Medicinal Chemistry

Volumn 61, Issue 8, 2018, Pages 3277-3292

  Kramer, Christian ^a   Ting, Attilla ^c   Zheng, Hao ^b   Hert, Jérôme ^a   Schindler, Torsten ^a   Stahl, Martin ^a   Robb, Graeme ^c   Crawford, James J ^b   Blaney, Jeff ^b   Montague, Shane ^d   Leach, Andrew G ^d   Dossetter, Al G ^d   Griffen, Ed J ^d  

^a F HOFFMANN LA ROCHE LTD   (Switzerland)

^b GENENTECH INC   (United States)

^c ASTRAZENECA   (United Kingdom)

^d Newcastle Under Lyme Staffordshire   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

ANIMAL CELL; ARTICLE; DRUG CLEARANCE; DRUG DISTRIBUTION; DRUG EXCRETION; DRUG METABOLISM; DRUG SOLUBILITY; DRUG TOXICITY; HUMAN; HUMAN CELL; IN VITRO STUDY; MEDICINAL CHEMISTRY; MOUSE; NONHUMAN; PLASMA PROTEIN BINDING; RAT; ANIMAL; DATA MINING; DOG; DRUG INDUSTRY; INFORMATION PROCESSING; MACACA FASCICULARIS; MDCK CELL LINE; METABOLIC CLEARANCE RATE; PHARMACOLOGY; PROCEDURES; SOLUBILITY; STATISTICS AND NUMERICAL DATA;

PROTEIN BINDING;

ANIMALS; CHEMISTRY, PHARMACEUTICAL; DATA MINING; DATASETS AS TOPIC; DOGS; DRUG INDUSTRY; HUMANS; MACACA FASCICULARIS; MADIN DARBY CANINE KIDNEY CELLS; METABOLIC CLEARANCE RATE; MICE; PHARMACOLOGY; PROTEIN BINDING; RATS; SOLUBILITY;

EID: 85032013553     PISSN: 00222623     EISSN: 15204804     Source Type: Journal    
DOI: 10.1021/acs.jmedchem.7b00935     Document Type: Article

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