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Molecular Informatics

Volumn 34, Issue 6-7, 2015, Pages 404-416

Perspectives of Halogen Bonding Description in Scoring Functions and QSAR/QSPR: Substituent Effects in Aromatic Core

(4) Titov, Oleg I a Shulga, Dmitry A a Palyulin, Vladimir A a Zefirov, Nikolay S a

a MOSCOW STATE UNIVERSITY (Russian Federation)

Author keywords

Drug design; Electrostatic interactions; Halogen bonding; Molecular modelling; QSAR

Indexed keywords

AROMATIC COMPOUND; BENZENE DERIVATIVE; CARBON; HALOGEN;

AB INITIO CALCULATION; ANALYTICAL ERROR; ANISOTROPY; ARTICLE; DIPOLE; DRUG DESIGN; DRUG SCREENING; MOLECULAR DOCKING; MOLECULAR MECHANICS; MOLECULAR MODEL; PRACTICE GUIDELINE; PREDICTION; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; QUANTITATIVE STRUCTURE PROPERTY RELATION; SCORING SYSTEM; STATIC ELECTRICITY; STATISTICAL PARAMETERS; VIRTUAL REALITY; CHEMISTRY;

HALOGENS; MOLECULAR DOCKING SIMULATION;

EID: 84933525297 PISSN: 18681743 EISSN: 18681751 Source Type: Journal
DOI: 10.1002/minf.201400195 Document Type: Article

Times cited : (13)

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