Fast calculation of van der Waals volume as a sum of atomic and bond contributions and its application to drug compounds

Journal of Organic Chemistry

Volumn 68, Issue 19, 2003, Pages 7368-7373

  Zhao, Yuan H ^a   Abraham, Michael H ^a   Zissimos, Andreas M ^b  

^a UNIVERSITY COLLEGE LONDON   (United Kingdom)

^b ID Business Solutions Ltd   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; COMPUTER APPLICATIONS; ORGANIC COMPOUNDS;

AROMATIC RINGS;

DRUG PRODUCTS;

ALKANE DERIVATIVE; ALKENE DERIVATIVE; ALKYNE DERIVATIVE; DRUG; HALOGEN; NITROGEN; OXYGEN;

ANALYTIC METHOD; ARTICLE; ATOMIC AND BOND CONTRIBUTION; ATOMIC PARTICLE; CALCULATION; CHEMICAL ANALYSIS; CHEMICAL BOND; CORRELATION COEFFICIENT; MATHEMATICAL ANALYSIS; PHYSICAL CHEMISTRY; VALIDATION PROCESS;

EID: 0141566477     PISSN: 00223263     EISSN: None     Source Type: Journal    
DOI: 10.1021/jo034808o     Document Type: Article

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