DFT-based QSAR and QSPR models of several cis-platinum complexes: Solvent effect

Journal of Computer-Aided Molecular Design

Volumn 23, Issue 6, 2009, Pages 343-354

  Sarmah, Pubalee ^a   Deka, Ramesh C ^a  

^a TEZPUR UNIVERSITY   (India)

Author keywords

Cis Platinum complexes; DFT; QSAR; QSPR; Solvent effect

Indexed keywords

ALCOHOLS; BIOACTIVITY; CELL CULTURE; COMPUTATIONAL CHEMISTRY; DESIGN FOR TESTABILITY; MOLECULAR GRAPHICS; PLATINUM COMPOUNDS;

CIS-PLATINUM COMPLEX; DENSITY-FUNCTIONAL-THEORY; DESCRIPTORS; PLATINUM COMPLEXES; QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIP; QUANTITATIVE STRUCTURE PROPERTY RELATIONSHIPS; QUANTITATIVE STRUCTURE-PROPERTY RELATIONSHIP MODELS; RELATIONSHIP ANALYSIS; SOLVENT EFFECTS; TEST SETS;

DENSITY FUNCTIONAL THEORY;

CISPLATIN; OCTANOL; PLATINUM COMPLEX; WATER;

ARTICLE; CANCER CELL CULTURE; COMPLEX FORMATION; CONTROLLED STUDY; DENSITY FUNCTIONAL THEORY; DRUG CYTOTOXICITY; DRUG METABOLISM; DRUG UPTAKE; HUMAN; HUMAN CELL; MOLECULAR MECHANICS; MOLECULAR MODEL; OVARY CANCER; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; QUANTITATIVE STRUCTURE PROPERTY RELATION; SOLVENT EFFECT;

EID: 67349173677     PISSN: 0920654X     EISSN: 15734951     Source Type: Journal    
DOI: 10.1007/s10822-009-9265-4     Document Type: Article

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