Prediction of drug solubility from molecular structure using a drug-like training set

SAR and QSAR in Environmental Research

Volumn 19, Issue 3-4, 2008, Pages 191-212

  Huuskonen, J ^a   Livingstone, D J ^b,c   Manallack, D T ^d  

^a UNIVERSITY OF HELSINKI   (Finland)

^b UNIVERSITY OF PORTSMOUTH   (United Kingdom)

^c Delamere House   (United Kingdom)

^d MONASH UNIVERSITY   (Australia)

Author keywords

Molecular properties; Physicochemical properties; QSAR; Solubility; Therapeutic agents

Indexed keywords

AGRICULTURAL CHEMICALS; COMPUTATIONAL CHEMISTRY; DRUG DELIVERY; REGRESSION ANALYSIS; STRUCTURAL PROPERTIES;

AMINE GROUPS; MOLECULAR PROPERTIES; PHYSICOCHEMICAL PROPERTY; QSAR; QUANTITATIVE STRUCTURE PROPERTY RELATIONSHIPS; SIMPLE++; SOLUBILITY EQUATIONS; TEST SETS; THERAPEUTIC AGENTS; TRAINING SETS;

SOLUBILITY;

EID: 47349119393     PISSN: 1062936X     EISSN: 1029046X     Source Type: Journal    
DOI: 10.1080/10629360802083855     Document Type: Article

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