In silico pKa prediction and ADME profiling

Chemistry and Biodiversity

Volumn 6, Issue 11, 2009, Pages 1812-1821

  Cruciani, Gabriele ^a   Milletti, Francesca ^a   Storchi, Loriano ^b   Sforna, Gianluca ^b   Goracci, Laura ^b  

^a UNIVERSITY OF PERUGIA   (Italy)

^b Molecular Discovery Limited   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

ASTEMIZOLE; CARTEOLOL; CETIRIZINE; LIGAND; NORASTEMIZOLE; PROTEIN; DRUG; ORGANIC COMPOUND; PROTON;

ATOM; CALCULATION; CHEMICAL COMPOSITION; COMPUTER MODEL; CONFERENCE PAPER; DRUG METABOLISM; DRUG SOLUBILITY; HYDROGEN BOND; IONIZATION; LIPOPHILICITY; METHODOLOGY; PHYSICAL CHEMISTRY; PKA; PREDICTION; ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; FORECASTING; ISOMERISM; KINETICS; METABOLISM; PH; PHARMACOKINETICS; SOLUBILITY;

CHEMISTRY, PHARMACEUTICAL; COMPUTER SIMULATION; FORECASTING; HYDROGEN BONDING; HYDROGEN-ION CONCENTRATION; ISOMERISM; KINETICS; MODELS, MOLECULAR; ORGANIC CHEMICALS; PHARMACEUTICAL PREPARATIONS; PHARMACOKINETICS; PROTONS; SOLUBILITY;

EID: 72449138105     PISSN: 16121872     EISSN: 16121880     Source Type: Journal    
DOI: 10.1002/cbdv.200900153     Document Type: Conference Paper

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