DemQSAR: Predicting human volume of distribution and clearance of drugs

Journal of Computer-Aided Molecular Design

Volumn 25, Issue 12, 2011, Pages 1121-1133

  Demir Kavuk, Ozgur ^a   Bentzien, Jörg ^b   Muegge, Ingo ^b   Knapp, Ernst Walter ^a  

^a FREIE UNIVERSITÄT BERLIN   (Germany)

^b BOEHRINGER INGELHEIM PHARMACEUTICALS INC   (United States)

Author keywords

Clearance; DemQSAR; Feature selection; Prediction; QSAR; Volume of distribution

Indexed keywords

COMPUTATIONAL CHEMISTRY; FEATURE SELECTION; LEARNING SYSTEMS; MODEL BUILDINGS;

CLEARANCE; DEMQSAR; DEVELOPMENT COSTS; FEATURES SELECTION; IN-SILICO; MOLECULAR COMPOUNDS; PROPERTY; QSAR; TRAINING DATA; VOLUME OF DISTRIBUTION;

FORECASTING;

ARTICLE; COMPUTER INTERFACE; COMPUTER MODEL; COMPUTER PROGRAM; CONTROLLED STUDY; DEMQSAR; DISTRIBUTION VOLUME; DRUG BLOOD LEVEL; DRUG CLEARANCE; DRUG HALF LIFE; DRUG MECHANISM; DRUG TARGETING; MOLECULAR MODEL; PHYSICAL CHEMISTRY; PREDICTION; PREDICTIVE VALUE; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION;

EID: 84855193410     PISSN: 0920654X     EISSN: 15734951     Source Type: Journal    
DOI: 10.1007/s10822-011-9496-z     Document Type: Article

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