Rational drug design for anti-cancer chemotherapy: Multi-target QSAR models for the in silico discovery of anti-colorectal cancer agents

Bioorganic and Medicinal Chemistry

Volumn 20, Issue 15, 2012, Pages 4848-4855

  Speck Planche, Alejandro ^a   Kleandrova, Valeria V ^b   Luan, Feng ^a,c   Cordeiro, M Natália D S ^a  

^a UNIVERSITY OF PORTO   (Portugal)

^b MOSCOW STATE UNIVERSITY OF FOOD PRODUCTION   (Russian Federation)

^c YANTAI UNIVERSITY   (China)

Author keywords

Anti CRC activity; Artificial neural network; CRC cell lines; In silico design; Linear discriminant analysis; mt QSAR; Quantitative contributions

Indexed keywords

ANTINEOPLASTIC AGENT;

ANTINEOPLASTIC ACTIVITY; ARTICLE; ARTIFICIAL NEURAL NETWORK; CANCER CELL CULTURE; CHEMOINFORMATICS; COLORECTAL CANCER; COMPUTER MODEL; DISCRIMINANT ANALYSIS; DRUG DESIGN; DRUG POTENCY; DRUG RESEARCH; DRUG SCREENING; DRUG STRUCTURE; INFORMATION PROCESSING; LINEAR DISCRIMINANT ANALYSIS; LINEAR SYSTEM; NONLINEAR SYSTEM; PREDICTION; QUANTITATIVE STRUCTURE ACTIVITY RELATION; STATISTICAL MODEL; VIRTUAL REALITY;

ANTINEOPLASTIC COMBINED CHEMOTHERAPY PROTOCOLS; CELL LINE, TUMOR; CELL PROLIFERATION; COLORECTAL NEOPLASMS; DRUG DESIGN; DRUG SCREENING ASSAYS, ANTITUMOR; HUMANS; MOLECULAR STRUCTURE; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 84863983170     PISSN: 09680896     EISSN: 14643391     Source Type: Journal    
DOI: 10.1016/j.bmc.2012.05.071     Document Type: Article

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