ESOL: Estimating aqueous solubility directly from molecular structure

Journal of Chemical Information and Computer Sciences

Volumn 44, Issue 3, 2004, Pages 1000-1005

  Delaney, John S ^a  

^a JEALOTT S HILL INTERNATIONAL RESEARCH CENTRE   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; DATABASE SYSTEMS; ERROR ANALYSIS; GENETIC ALGORITHMS; MARKETING; MELTING; MOLECULAR WEIGHT; REGRESSION ANALYSIS; SOLUBILITY;

AROMATIC SYSTEMS; MOLECULAR DESCRIPTORS; MOLECULAR PROPERTIES; ROTATABLE BONDS (RB);

MOLECULAR STRUCTURE;

EID: 2942704243     PISSN: 00952338     EISSN: None     Source Type: Journal    
DOI: 10.1021/ci034243x     Document Type: Article

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