SCOPUS 정보 검색 플랫폼

Chemometrics and Intelligent Laboratory Systems

Volumn 109, Issue 1, 2011, Pages 94-100

Comparison of SMILES and molecular graphs as the representation of the molecular structure for QSAR analysis for mutagenic potential of polyaromatic amines

(7) Toropov, A A a Toropova, A P a Martyanov, S E b Benfenati, E a Gini, G c Leszczynska, D d Leszczynski, J e

a MARIO NEGRI INSTITUTE FOR PHARMACOLOGICAL RESEARCH (Italy)

b Teleca OOO (Russian Federation)

c POLITECNICO DI MILANO (Italy)

d Jackson State University (United States)

e JACKSON STATE UNIVERSITY (United States)

Author keywords

Monte Carlo method; Mutagenicity; Optimal descriptor; QSAR

Indexed keywords

AROMATIC AMINE; CARBON; HYDROGEN; NITROGEN; OXYGEN; POLYAROMATIC AMINE; UNCLASSIFIED DRUG;

ACCURACY; ARTICLE; CALCULATION; CALIBRATION; CHEMICAL MUTAGENESIS; CHEMICAL STRUCTURE; COMPUTER PROGRAM; CONTROLLED STUDY; LATENT STRUCTURE ANALYSIS; MATHEMATICAL MODEL; MONTE CARLO METHOD; PREDICTION; PRIORITY JOURNAL; PROCESS OPTIMIZATION; QUANTITATIVE STRUCTURE PROPERTY RELATION; SIMPLIFIED MOLECULAR INPUT LINE ENTRY SYSTEM;

EID: 84860404903 PISSN: 01697439 EISSN: 18733239 Source Type: Journal
DOI: 10.1016/j.chemolab.2011.07.008 Document Type: Article

Times cited : (52)

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