New predictors for several ADME/Tox properties: Aqueous solubility, human oral absorption, and Ames genotoxicity using topological descriptors

Molecular Diversity

Volumn 8, Issue 4, 2004, Pages 379-391

  Votano, Joseph R ^a   Parham, Marc ^a   Hall, Lowell H ^b   Kier, Lemont B ^c  

^a ChemSilico LLC   (United States)

^b EASTERN NAZARENE COLLEGE   (United States)

^c UNIVERSITY OF RICHMOND   (United States)

Author keywords

aqueous solubility; drug absorption; genotoxicity; QSAR models; topological descriptors

Indexed keywords

DRUG; OCTANOL; WATER;

ABSORPTION; AQUEOUS SOLUTION; ARTICLE; ARTIFICIAL NEURAL NETWORK; CHEMICAL ANALYSIS; DRUG ABSORPTION; DRUG SCREENING; EXCRETION; GENOTOXICITY; METABOLISM; PARTITION COEFFICIENT; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; QUANTITATIVE STRUCTURE PROPERTY RELATION; SALMONELLA TYPHIMURIUM; SOLUBILITY; TOXICITY; VALIDATION PROCESS;

ADMINISTRATION, ORAL; HUMANS; HYDROGEN-ION CONCENTRATION; INTESTINES; MODELS, CHEMICAL; MODELS, THEORETICAL; MUTAGENICITY TESTS; PHARMACEUTICAL PREPARATIONS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; SALMONELLA TYPHIMURIUM; SENSITIVITY AND SPECIFICITY; SOLUBILITY; TISSUE DISTRIBUTION; WATER;

EID: 8544284073     PISSN: 13811991     EISSN: None     Source Type: Journal    
DOI: 10.1023/B:MODI.0000047512.82293.75     Document Type: Article

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