Molecular quantum similarity measures tuned 3D QSAR: An antitumoral family validation study

Journal of Chemical Information and Computer Sciences

Volumn 38, Issue 4, 1998, Pages 624-631

  Amat, Lluís ^a   Robert, David ^a   Besalú, Emili ^a   Carbó Dorca, Ramon ^a  

^a UNIVERSITY OF GIRONA   (Spain)

Author keywords

Atomic shell approximation; Camptothecin analogues; Carb index; Classical scaling analysis; Convex sets; DNA topoisomerase I; Molecular quantum similarity measures; Promolecular densities; Similarity matrices; Tuned 3D QSAR

Indexed keywords

ANTINEOPLASTIC AGENT;

ANIMAL; ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER PROGRAM; DRUG DESIGN; STRUCTURE ACTIVITY RELATION;

ANIMALS; ANTINEOPLASTIC AGENTS; ANTINEOPLASTIC AGENTS, PHYTOGENIC; DRUG DESIGN; MODELS, CHEMICAL; MODELS, MOLECULAR; SOFTWARE DESIGN; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 0032111149     PISSN: 00952338     EISSN: None     Source Type: Journal    
DOI: 10.1021/ci9800108     Document Type: Article

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