Markovian chemicals "in silico" design (MARCH-INSIDE), a promising approach for computer aided molecular disign II: Experimental and theoretical assessment of a novel method for virtual screening of fasciolicides

Journal of Molecular Modeling

Volumn 8, Issue 8, 2002, Pages 237-245

  González Díaz, Humberto ^a,b   Olazabal, Ervelio ^a   Castañedo, Nilo ^a   Hernández Sánchez, Ivan ^a   Morales, Alcidez ^a   Serrano, Hector S ^a   González, Julio ^a   Ramos de Armas, Ronal ^a  

^a CENTRAL UNIVERSITY OF LAS VILLAS   (Cuba)

^b UNIVERSITY OF SANTIAGO DE COMPOSTELA   (Spain)

Author keywords

Drug design; Fluckicidal drugs; Linear discriminant analysis and electronegativity; Markov's chains; QSAR; Stochastic matrix

Indexed keywords

ALBENDAZOLE; ANTIPLATYHELMINTIC AGENT; BETA TUBULIN; BITHIONOL; CAMBENDAZOLE; CARBON TETRACHLORIDE; CLORSULON; CLOSANTEL; DIAVERIDINE; DRUG VEHICLE; FASCIOLICIDE; HEXACHLOROETHANE; IONOPHORE; MEBENDAZOLE; NETOBIMIN; NICLOFOLAN; ORGANIC COMPOUND; OXANTEL; OXYCLOZANIDE; PRAZIQUANTEL; PROTEIN INHIBITOR; PROTON; PYRANTEL; RAFOXANIDE; SALICYLANILIDE DERIVATIVE; SUNFLOWER OIL; TETRACHLOROETHANE; TIABENDAZOLE; TRICLABENDAZOLE; UNINDEXED DRUG;

ACCURACY; ANALYTIC METHOD; ANIMAL EXPERIMENT; ANIMAL MODEL; ARTICLE; COMPUTER AIDED DESIGN; COMPUTER MODEL; COMPUTER PROGRAM; CONTROLLED STUDY; DRUG CLASSIFICATION; DRUG DESIGN; DRUG DETERMINATION; DRUG EFFICACY; DRUG MECHANISM; DRUG SCREENING; FEMALE; IN VIVO STUDY; MALE; MATHEMATICAL COMPUTING; MOUSE; NONHUMAN; PREDICTION; PRIORITY JOURNAL; PROBABILITY; QUANTITATIVE STRUCTURE ACTIVITY RELATION; THEORY; TREMATODIASIS; VALIDATION PROCESS; VIRTUAL REALITY;

ANIMALS; ANTIPLATYHELMINTIC AGENTS; COMPUTER SIMULATION; COMPUTER-AIDED DESIGN; DRUG DESIGN; FASCIOLIASIS; IONOPHORES; MARKOV CHAINS; MODELS, THEORETICAL; ORGANIC CHEMICALS; PARASITIC SENSITIVITY TESTS; TUBULIN MODULATORS;

ANIMALIA; HELIANTHUS;

EID: 0346949042     PISSN: 16102940     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00894-002-0088-7     Document Type: Article

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