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Journal of Computer-Aided Molecular Design

Volumn 16, Issue 1, 2002, Pages 59-71

Effectiveness of graph-based and fingerprint-based similarity measures for virtual screening of 2D chemical structure databases

(2) Raymond, John W a Willett, Peter b

a PFIZER INC (United States)

b UNIVERSITY OF SHEFFIELD (United Kingdom)

Author keywords

Fingerprint; Graph matching; Maximum common edge subgraph; Maximum overlapping set; RASCAL; Similarity coefficient; Similarity searching; Virtual screening

Indexed keywords

DATABASE SYSTEMS; PATTERN MATCHING; SET THEORY;

FINGERPRINT; GRAPH MATCHINGS; GRAPH-BASED; MAXIMUM COMMON EDGE SUBGRAPH; MAXIMUM OVERLAPPING SET; RASCAL; SIMILARITY COEFFICIENTS; SIMILARITY SEARCHING; SUBGRAPHS; VIRTUAL SCREENING;

GRAPHIC METHODS;

ALGORITHM; ARTICLE; CHEMICAL STRUCTURE; CONTROLLED STUDY; DATA BASE; DEVICE; MOLECULE; PRIORITY JOURNAL; STATISTICAL ANALYSIS; STRUCTURE ANALYSIS; VIRTUAL REALITY; COMPUTER SIMULATION; DRUG DESIGN; DRUG SCREENING; FACTUAL DATABASE; METHODOLOGY; STATISTICS;

ALGORITHMS; COMPUTER SIMULATION; DATABASES, FACTUAL; DRUG DESIGN; DRUG EVALUATION, PRECLINICAL; MOLECULAR STRUCTURE;

EID: 0036022963 PISSN: 0920654X EISSN: None Source Type: Journal
DOI: 10.1023/A:1016387816342 Document Type: Article

Times cited : (103)

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* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.