Quadratic indices of the 'molecular pseudograph's atom adjacency matrix' and their stochastic forms: A novel approach for virtual screening and in silico discovery of new lead paramphistomicide drugs-like compounds

Journal of Molecular Structure: THEOCHEM

Volumn 717, Issue 1-3, 2005, Pages 67-79

  Marrero Ponce, Yovani ^a   Huesca Guillén, Alma ^b   Ibarra Velarde, Froylán ^b  

^a CENTRAL UNIVERSITY OF LAS VILLAS   (Cuba)

^b UNIVERSIDAD NACIONAL AUTÓNOMA DE MÉXICO   (Mexico)

Author keywords

Paramphistomicide compound; QSAR; Quadratic indices; Stochastic quadratic indices; TOMOCOMD CARDD software

Indexed keywords

153 C 51; 26354 RP; 5 AMINO 3 [2 (5 NITRO 2 FURYL)VINYL] 1,2,4 OXADIAZOLE; AGRIMONULIDE; AMPHOTALINE; ANTELMYCIN; ANTHELMINTIC AGENT; ARTEMETHER; BEMOSAT; BENZATHINE PENICILLIN; BEPHENIUM HYDROXYNAPHTHOATE; CI 75805; DESTOMYCIN A; DIAMFENETIDE; DIBUTYLIN DILAURATE; DIFESYL; DIMANTINE; DIUREDOSAN; ETIBENDAZOLE; FLURANTEL; FURAPROMIDIUM; G 572; HYCANTHONE; HYGROMYCIN B; IMCARBOFOS; LUCANTHONE; MIRACIL A; MIRACIL B; MIRACIL C; PARAROSANILINE EMBONATE; PIPERAMIDE MALEATE; RP 12869; S 72014; SALANTEL; SANTOPERONIM; SRC 4402; TRICHLOROPHENE; UNCLASSIFIED DRUG; UNINDEXED DRUG; UREDOFOS; VUFB 7904;

ACCURACY; ARTICLE; CANONICAL ANALYSIS; DRUG EFFICACY; DRUG MECHANISM; DRUG STRUCTURE; MATHEMATICAL COMPUTING; PREDICTION; REGRESSION ANALYSIS; STOCHASTIC MODEL; VALIDATION PROCESS;

EID: 14844336963     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2004.11.027     Document Type: Article

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