QuBiLs-MAS method in early drug discovery and rational drug identification of antifungal agents

SAR and QSAR in Environmental Research

Volumn 26, Issue 11, 2015, Pages 943-958

  Medina Marrero, R ^a,b   Marrero Ponce, Y ^a,c,d,g   Barigye, S J ^a,e   Echeverria Diaz Y ^a   Acevedo Barrios, R ^c   Casanola Martin G M ^a,d,f   Garcia Bernal M ^b   Torrens, F ^d   Perez Gimenez F ^d  

^a Computer Aided Molecular ‘Biosilico’ Discovery and Bioinformatic Research International Network ^*  (Colombia)

^b CENTRAL UNIVERSITY OF LAS VILLAS   (Cuba)

^c UNIVERSIDAD TECNOLÓGICA DE BOLÍVAR   (Colombia)

^d UNIVERSITY OF VALENCIA   (Spain)

^e FEDERAL UNIVERSITY OF LAVRAS   (Brazil)

^f UNIVERSIDAD DE SAN BUENAVENTURA   (Colombia)

^g Grupo de Investigación Microbiología y Ambiente   (Colombia)

Author keywords

atom based quadratic indices; linear discriminant analysis; QSAR model; QuBiLs MAS software; virtual screening, antifungal agent

Indexed keywords

ANTIFUNGAL AGENTS; DISCRIMINANT ANALYSIS; STOCHASTIC SYSTEMS;

ANTIFUNGAL ACTIVITIES; ANTIFUNGALS; ATOM-BASED QUADRATIC INDEX; LINEAR DISCRIMINANT ANALYZE; NON-STOCHASTIC; QSAR MODEL; QUBILS-MAS SOFTWARE; SIMPLE STOCHASTIC; VIRTUAL SCREENING; VIRTUAL SCREENING, ANTIFUNGAL AGENT;

COMPUTATIONAL CHEMISTRY;

ANTIFUNGAL AGENT;

CHEMISTRY; COMPUTER SIMULATION; DISCRIMINANT ANALYSIS; DRUG DEVELOPMENT; QUANTITATIVE STRUCTURE ACTIVITY RELATION; STATISTICAL MODEL;

ANTIFUNGAL AGENTS; COMPUTER SIMULATION; DISCRIMINANT ANALYSIS; DRUG DISCOVERY; LINEAR MODELS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 84947865592     PISSN: 1062936X     EISSN: 1029046X     Source Type: Journal    
DOI: 10.1080/1062936X.2015.1104517     Document Type: Article

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