In silico approaches to prediction of aqueous and DMSO solubility of drug-like compounds: Trends, problems and solutions

Current Medicinal Chemistry

Volumn 13, Issue 2, 2006, Pages 223-241

  Balakin, Konstantin V ^a   Savchuk, Nikolay P ^a   Tetko, Igor V ^b,c  

^a CHEMDIV INC   (United States)

^b INSTITUTE OF BIOORGANIC CHEMISTRY AND PETROCHEMISTRY   (Ukraine)

^c INSTITUTE OF EPIDEMIOLOGY   (Germany)

Author keywords

Bioavailability; Combinatorial libraries; Computational approaches; DMSO aqueous solubility prediction; Drug design; Virtualscreening

Indexed keywords

DIMETHYL SULFOXIDE; DRUG; ORGANIC COMPOUND; WATER;

ACCURACY; AQUEOUS SOLUTION; CHEMICAL STRUCTURE; COMPUTER MODEL; DRUG ABSORPTION; DRUG DISTRIBUTION; DRUG ELIMINATION; DRUG INDUSTRY; DRUG RESEARCH; DRUG SCREENING; DRUG SOLUBILITY; DRUG STORAGE; METHODOLOGY; PREDICTION; PROCESS OPTIMIZATION; REVIEW; THEORETICAL MODEL; THREE DIMENSIONAL IMAGING; VIRTUAL REALITY; BIOAVAILABILITY; BIOLOGICAL MODEL; CHEMISTRY; COMBINATORIAL CHEMISTRY; COMPUTER SIMULATION; DRUG DESIGN; EVALUATION; METABOLISM; SOLUBILITY; STRUCTURE ACTIVITY RELATION;

BIOLOGICAL AVAILABILITY; COMBINATORIAL CHEMISTRY TECHNIQUES; COMPUTER SIMULATION; DIMETHYL SULFOXIDE; DRUG DESIGN; MODELS, BIOLOGICAL; PHARMACEUTICAL PREPARATIONS; SOLUBILITY; STRUCTURE-ACTIVITY RELATIONSHIP; WATER;

EID: 33645466603     PISSN: 09298673     EISSN: None     Source Type: Journal    
DOI: 10.2174/092986706775197917     Document Type: Review

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