QTAIM application in drug development: Prediction of relative stability of drug polymorphs from experimental crystal structures

Journal of Physical Chemistry A

Volumn 115, Issue 45, 2011, Pages 12809-12817

  Abramov, Yuriy A ^a  

^a PFIZER GLOBAL RESEARCH AND DEVELOPMENT   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CRYSTAL FORMS; CRYSTALLINE FORM; DRUG DEVELOPMENT; HIERARCHICAL APPROACH; INTERMOLECULAR HYDROGEN BONDS; MOLECULAR MECHANICALS; QUANTUM THEORY OF ATOMS IN MOLECULES; RELATIVE STABILITIES; STABILITY ANALYSIS; SULFATHIAZOLE; TEST SYSTEMS; WEAK INTERACTIONS;

CRYSTAL ATOMIC STRUCTURE; DRUG INTERACTIONS; FORECASTING; HYDROGEN BONDS; QUANTUM COMPUTERS; QUANTUM THEORY;

SYSTEM STABILITY;

DRUG;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; DRUG DEVELOPMENT; QUANTUM THEORY; X RAY CRYSTALLOGRAPHY;

CRYSTALLOGRAPHY, X-RAY; DRUG DISCOVERY; MODELS, MOLECULAR; MOLECULAR STRUCTURE; PHARMACEUTICAL PREPARATIONS; QUANTUM THEORY;

EID: 80855150842     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp2039515     Document Type: Article

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