Design of a Fragment Library that maximally represents available chemical space

Journal of Computer-Aided Molecular Design

Volumn 25, Issue 7, 2011, Pages 611-620

  Schulz, M N ^a   Landstrom J ^a   Bright, K ^a   Hubbard, R E ^a,b  

^a UNIVERSITY OF YORK   (United Kingdom)

^b Vernalis PLC   (United Kingdom)

Author keywords

Fragment based ligand discovery; Library design; Nearest neighbours; SAR by catalog

Indexed keywords

ITERATIVE METHODS; LIGANDS; SYNTHETIC APERTURE RADAR;

CHEMICAL LIBRARIES; CHEMICAL SPACE; CHEMINFORMATICS; FRAGMENT-BASED LIGAND DISCOVERY; LIBRARY DESIGNS; NEAREST-NEIGHBOUR; PHYSICOCHEMICAL PROPERTY; SAR BY CATALOG;

LIBRARIES;

ARTICLE; CAPILLARY ELECTROPHORESIS; DIFFERENTIAL SCANNING CALORIMETRY; DRUG DESIGN; DRUG DEVELOPMENT; DRUG INFORMATION; DRUG SCREENING; FRAGMENT LIBRARY; HYDROGEN BOND; MASS SPECTROMETRY; MOLECULAR LIBRARY; NUCLEAR MAGNETIC RESONANCE; PHYSICAL CHEMISTRY; PRIORITY JOURNAL; STRUCTURE ACTIVITY RELATION; SURFACE PLASMON RESONANCE; THERMAL ANALYSIS; X RAY CRYSTALLOGRAPHY;

EID: 80051799481     PISSN: 0920654X     EISSN: 15734951     Source Type: Journal    
DOI: 10.1007/s10822-011-9461-x     Document Type: Article

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