In silico physicochemical parameter predictions

Molecular Pharmaceutics

Volumn 10, Issue 4, 2013, Pages 1224-1235

  Wenlock, Mark C ^a   Barton, Patrick ^a  

^a ASTRAZENECA   (United Kingdom)

Author keywords

aqueous solubility; hydrogen bonding; hydrophobicity; in silico predictions; p K a

Indexed keywords

ALBUMIN; CARBENICILLIN;

AQUEOUS SOLUTION; ARTICLE; COMPUTER MODEL; CONTROLLED STUDY; DRUG ABSORPTION; DRUG DETERMINATION; DRUG DEVELOPMENT; DRUG DISTRIBUTION; DRUG ELIMINATION; DRUG METABOLISM; DRUG TOXICITY; HUMAN; HYDROGEN BOND; HYDROPHOBICITY; IN VITRO STUDY; IONIZATION; PHYSICAL CHEMISTRY; PRIORITY JOURNAL; SYNTHESIS;

ALGORITHMS; BENZOIC ACID; CARBENICILLIN; CHEMISTRY, PHYSICAL; COMPUTER SIMULATION; DRUG DESIGN; DRUG DISCOVERY; HUMANS; HYDROGEN BONDING; HYDROGEN-ION CONCENTRATION; HYDROPHOBIC AND HYDROPHILIC INTERACTIONS; MOLECULAR STRUCTURE; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; SALICYLATES; SOLUBILITY;

EID: 84875790754     PISSN: 15438384     EISSN: 15438392     Source Type: Journal    
DOI: 10.1021/mp300537k     Document Type: Article

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