SMILES-based QSAR approaches for carcinogenicity and anticancer activity: Comparison of correlation weights for identical SMILES attributes

Anti-Cancer Agents in Medicinal Chemistry

Volumn 11, Issue 10, 2011, Pages 974-982

  Toropov, Andrey A ^a   Toropova, Alla P ^a   Benfenati, Emilio ^a   Gini, Giuseppina ^b   Leszczynska, Danuta ^c   Leszczynski, Jerzy ^d  

^a MARIO NEGRI INSTITUTE FOR PHARMACOLOGICAL RESEARCH   (Italy)

^b POLITECNICO DI MILANO   (Italy)

^c Jackson State University   (United States)

^d JACKSON STATE UNIVERSITY   (United States)

Author keywords

Anticancer activity; Carcinogenicity; Coral software; Qsar; Smiles; Validation

Indexed keywords

ANTINEOPLASTIC ACTIVITY; ARTICLE; CALIBRATION; CARCINOGENICITY; CHEMICAL BINDING; COMPUTER PROGRAM; CYTOTOXICITY; HUMAN; IC 50; IN VITRO STUDY; MATHEMATICAL MODEL; NONHUMAN; QUANTITATIVE STRUCTURE ACTIVITY RELATION; SIMPLIFIED MOLECULAR INPUT LINE ENTRY SYSTEM; STATISTICAL MODEL;

EID: 80055118671     PISSN: 18715206     EISSN: 18755992     Source Type: Journal    
DOI: 10.2174/187152011797927625     Document Type: Article

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