Atom, atom-type and total molecular linear indices as a promising approach for bioorganic and medicinal chemistry: Theoretical and experimental assessment of a novel method for virtual screening and rational design of new lead anthelmintic

Bioorganic and Medicinal Chemistry

Volumn 13, Issue 4, 2005, Pages 1005-1020

  Marrero Ponce, Yovani ^a   Castillo Garit, Juan A ^a   Olazabal, Ervelio ^a   Serrano, Hector S ^a   Morales, Alcidez ^a   Castañedo, Nilo ^a   Ibarra Velarde, Froylán ^b   Huesca Guillen, Alma ^b   Sánchez, Alicia M ^a   Torrens, Francisco ^c   Castro, Eduardo A ^d  

^a CENTRAL UNIVERSITY OF LAS VILLAS   (Cuba)

^b UNIVERSIDAD NACIONAL AUTÓNOMA DE MÉXICO   (Mexico)

^c UNIVERSITY OF VALENCIA   (Spain)

^d INSTITUTO DE INVESTIGACIONES FISICOQUÍMICAS TEÓRICAS Y APLICADAS INIFTA   (Argentina)

Author keywords

Anthelmintic activity; QSAR; tomocomd cardd software; Total and local linear indices; Virtual screening

Indexed keywords

ANTHELMINTIC AGENT; ETHYLENE DERIVATIVE; ORGANIC COMPOUND;

ANTHELMINTIC ACTIVITY; ARTICLE; ATOM; CHEMISTRY; COMPUTER MODEL; CORRELATION COEFFICIENT; DRUG DESIGN; DRUG SCREENING; DRUG STRUCTURE; IN VIVO STUDY; MOLECULAR BIOLOGY; PREDICTION; QUANTITATIVE STRUCTURE ACTIVITY RELATION;

ANTHELMINTICS; DRUG DESIGN; MODELS, CHEMICAL;

EID: 19944434385     PISSN: 09680896     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.bmc.2004.11.040     Document Type: Article

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