QSAR and docking-based computational chemistry approach to novel GABA-AT inhibitors: KNN-MFA-based 3DQSAR model for phenyl-substituted analogs of b-phenylethylidene hydrazine

Medicinal Chemistry Research

Volumn 20, Issue 5, 2011, Pages 549-553

  Bansal, S K ^a,b   Sinha, B N ^a   Khosa, R L ^c  

^a BHARAT INSTITUTE OF TECHNOLOGY   (India)

^b Birla Institute of Technology ^*  (India)

^c BIRLA INSTITUTE OF TECHNOLOGY   (India)

Author keywords

Phenylethylidene hydrazine; Amino butyric acid transaminase inhibitors; Nearest neighbor molecular field analysis; 3DQSAR

Indexed keywords

4 AMINOBUTYRATE AMINOTRANSFERASE INHIBITOR; 4 AMINOBUTYRIC ACID; BETA PHENYLETHYLIDENE HYDRAZINE DERIVATIVE; DRUG METABOLITE; HYDRAZINE DERIVATIVE; PHENELZINE; PHENYL GROUP; UNCLASSIFIED DRUG;

ACCURACY; ARTICLE; DRUG STRUCTURE; EXTERNAL VALIDITY; INTERNAL VALIDITY; K NEAREST NEIGHBOR; K NEAREST NEIGHBOR MOLECULAR FIELD ANALYSIS; MOLECULAR MODEL; QUANTITATIVE STRUCTURE ACTIVITY RELATION;

EID: 80052036339     PISSN: 10542523     EISSN: 15548120     Source Type: Journal    
DOI: 10.1007/s00044-010-9350-1     Document Type: Article

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