Substructural analysis in drug discovery

Current Computer-Aided Drug Design

Volumn 3, Issue 1, 2007, Pages 59-67

  Villar, Hugo O ^a   Hansen, Mark R ^a   Kho, Richard ^a  

^a Altoris Inc   (United States)

Author keywords

Chemical data management; Chemoinformatics; Data mining; Fragment based discovery; Maximum common substructure; Substructure analysis

Indexed keywords

CHEMICAL ANALYSIS; COMPUTATIONAL CHEMISTRY; DIGITAL LIBRARIES; INFORMATION MANAGEMENT;

ANALYSIS TECHNIQUES; CHEMICAL DATA; CHEMICAL DATA MANAGEMENT; CHEMOINFORMATICS; DRUG DISCOVERY; FRAGMENT-BASED DISCOVERY; LARGE AMOUNTS OF DATA; MAXIMUM COMMON SUBSTRUCTURE; SUBSTRUCTURAL ANALYSIS; SUBSTRUCTURE ANALYSIS;

DATA MINING;

BLOOD CLOTTING FACTOR 10A INHIBITOR; PROTEINASE INHIBITOR;

ALGORITHM; AUTOMATION; CLUSTER ANALYSIS; COMPUTER AIDED DESIGN; COMPUTER PROGRAM; DRUG DESIGN; DRUG RESEARCH; DRUG SCREENING; DRUG STRUCTURE; INFORMATION PROCESSING; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PHYSICAL CHEMISTRY; PREDICTION; PROCESS OPTIMIZATION; REVIEW; STRUCTURE ACTIVITY RELATION; TOXICITY TESTING; X RAY CRYSTALLOGRAPHY;

EID: 33947116259     PISSN: 15734099     EISSN: None     Source Type: Journal    
DOI: 10.2174/157340907780058745     Document Type: Review

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