Palavra-chave: QSAR

ELECTROSTATIC POTENTIAL HIV-1 INTEGRASE MOLECULAR GRAPHICS MUTAGENICITY LEUCEMIA QSAR VALIDATION FLAVONOIDS NEURAL NETWORK 2-ACYL-CYCLOHEXANE-1,3-DIONE MODEL VALIDATION PLS CAROTENOIDS VARIABLE SELECTION DIBENZOILMETANOS MOLECULAR GRAPHICS AND MODELING CHALCONAS CADD OMEPRAZOLE RELAÇÃO ESTRUTURA-ATIVIDADE DRUG DESIGN ANTIMUTAGENIC EFFECT CÂNCER DE MAMA CANDIDA ALBICANS MÉTODOS SEMI-EMPÍRICOS HARTREE-FOCK PHYSICOCHEMICAL PARAMETERS PROGESTERONAS BISAMIDINES PIPER REDES NEURAIS PARTIAL LEAST SQUARES PLS QUÍMICA MEDICINAL COMPUTACIONAL MOLECULAR DYNAMICS SIMULATION LQTAGRID PROGRAM TUBERCULOSE HÜCKEL HIDROCARBONETOS AROMÁTICOS POLICÍCLICOS 4,5-DIHYDROXYPYRIMIDINE CARBOXAMIDES CHEMOMETRICS AMIDAS FEBRE AMARELA PHENOLIC COMPOUNDS 3-NFA ARTEMISININ PARTIAL LEST SQUARES PROGESTOGENS DIAZOBORINAS POLYCYCLIC AROMATIC HYDROCARBONS HIV INHIBITORS ENZIMA OXIDASE ALTERNATIVA (AOX) HIV OXINDÓIS LIGAND-BASED DESIGN AIDS FLAVONÓIDES FEBRIFUGINA QSPR ANTI-PARASITÁRIO ANTIFÚNGICOS 1,2,4-OXADIAZOLA PRAGAS AGRÍCOLAS ESTUDO ESTRUTURA-ATIVIDADE ANTIOXIDANT ACTIVITY HERBICIDE PCA FABL MIA-QSAR NATURAL PRODUCTS MÉTODO DE HUCKEL MALARIA ANTI-HIV-1 ACTIVITY REAÇÕES MULTICOMPONENTES CAFFEICS ACIDS QUIMIOMETRIA CHEMICAL GRAPH THEORY FENARIMOL CYTOTOXICITY ORDERED PREDICTORS SELECTION (OPS) ESTRUTURA ELETRÔNICA POLLUTANTS ENOYL-ACP REDUCTASE ANTIMALARIAIS ANTIPARASITÁRIOS ANTIMALARIALS CÂNCER INTEGRASE ANTIMALARIAL ACTIVITY EPR MOLECULAR MODELING BETA-LACTAM ANTIBIOTICS ISONIAZID DERIVATIVES ENZYME INHIBITORS FEBRIFUGINE ACRAB?TOLC EFFLUX PUMP LEISHMANIA STRUCTURE ELECTRONIC ANTIFUNGICO QUÍMICA QUÂNTICA PHOTOTOXICITY MEMBRANE INIBIDORES ENZIMÁTICOS ENOIL-ACP REDUCTASE DIAZABORINES STRUCTURE-ACTIVITY RELATIONSHIPS HYDROGEN BOND ANTI-TRYPANOSOMAL ACTIVITY LOGP CYCLOALIPHATIC EPOXIDES LOCAL ANESTHETIC ANTIOXIDANTE KOOPMANS´ENERGY HUMAN NEUTROPHIL ELASTASE PIPERAMIDAS