Ultrafast shape recognition: Evaluating a new ligand-based virtual screening technology

Journal of Molecular Graphics and Modelling

Volumn 27, Issue 7, 2009, Pages 836-845

  Ballester, Pedro J ^a   Finn, Paul W ^b   Richards, W Graham ^a  

^a UNIVERSITY OF OXFORD   (United Kingdom)

^b INHIBOX LTD   (United Kingdom)

Author keywords

Chemoinformatics; Drug Lead identification; Ligand based virtual screening; Molecular shape comparison; Similarity search

Indexed keywords

ACTIVE MOLECULES; BIOLOGICAL ACTIVITIES; BIOLOGICALLY ACTIVE COMPOUNDS; CHEMICAL SPACES; CHEMOINFORMATICS; COMPUTATIONAL PERFORMANCE; DRUG DISCOVERIES; DRUG LEAD IDENTIFICATION; EXISTING METHODS; LARGE-SCALE DATABASE; MOLECULAR PROPERTIES; MOLECULAR SHAPE COMPARISON; NEW TOOLS; SHAPE RECOGNITION; SHAPE SIMILARITIES; SIMILARITY SEARCH; THREE ORDERS OF MAGNITUDES; ULTRA FASTS;

BIOACTIVITY; MOLECULES; SEARCH ENGINES;

LIGANDS;

LIGAND;

ARTICLE; BIOLOGICAL ACTIVITY; COMPUTER AIDED DESIGN; DATA BASE; HUMAN; HUMAN CELL; MOLECULAR RECOGNITION; MOLECULAR SIZE; MOLECULE; PRIORITY JOURNAL; SCREENING; TECHNOLOGY; VIRTUAL REALITY;

CLUSTER ANALYSIS; COMPUTER SIMULATION; DATABASES AS TOPIC; DRUG DISCOVERY; IMAGING, THREE-DIMENSIONAL; LIGANDS; MODELS, MOLECULAR; MOLECULAR CONFORMATION; PATTERN RECOGNITION, AUTOMATED; REPRODUCIBILITY OF RESULTS; STRUCTURE-ACTIVITY RELATIONSHIP; TIME FACTORS; USER-COMPUTER INTERFACE;

EID: 61449202735     PISSN: 10933263     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jmgm.2009.01.001     Document Type: Article

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