Design of compound libraries for fragment screening

Journal of Computer-Aided Molecular Design

Volumn 23, Issue 8, 2009, Pages 513-525

  Blomberg, Niklas ^a   Cosgrove, David A ^b   Kenny, Peter W ^b   Kolmodin, Karin ^c  

^a ASTRAZENECA R AND D   (Sweden)

^b ASTRAZENECA   (United Kingdom)

^c ASTRAZENECA R AND D   (Sweden)

Author keywords

Bigpicker; FBDD; FBLG; Filter; Fingerprint; Flush; Foyfi; Fragment based; Fragment based drug discovery; Fragment based lead generation; Fragment screening; Leatherface; Library design; Molecular complexity; Molecular similarity; Neighborhood; NMR screening; Screening library; SMARTS; Solubility

Indexed keywords

BANDPASS FILTERS; DRUG PRODUCTS;

BIGPICKER; DRUG DISCOVERY; FBDD; FBLG; FILTER; FINGERPRINT; FLUSH; FOYFI; FRAGMENT BASED; FRAGMENT BASED DRUG DISCOVERY; FRAGMENT BASED LEAD GENERATION; FRAGMENT SCREENING; LEAD GENERATION; LEATHERFACE; LIBRARY DESIGNS; MOLECULAR COMPLEXITY; MOLECULAR SIMILARITY; NEIGHBOURHOOD; NMR SCREENING; SCREENING LIBRARY; SMARTS;

LIBRARIES;

ARTICLE; BINDING SITE; COMPUTER AIDED DESIGN; COMPUTER PROGRAM; CONFORMATIONAL TRANSITION; DRUG SCREENING; HIGH THROUGHPUT SCREENING; MOLECULAR LIBRARY; MOLECULAR RECOGNITION; MOLECULAR SIZE; MOLECULAR WEIGHT; MONTE CARLO METHOD; NUCLEAR MAGNETIC RESONANCE; PRIORITY JOURNAL; PROCESS OPTIMIZATION; SOLUBILITY; STRUCTURE ACTIVITY RELATION; X RAY CRYSTALLOGRAPHY;

BINDING SITES; COMBINATORIAL CHEMISTRY TECHNIQUES; COMPUTER-AIDED DESIGN; CRYSTALLOGRAPHY, X-RAY; DRUG DISCOVERY; HUMANS; LIGANDS; MAGNETIC RESONANCE SPECTROSCOPY; MOLECULAR TARGETED THERAPY; PROTEIN BINDING; PROTEIN CONFORMATION; SMALL MOLECULE LIBRARIES; SOFTWARE; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 67650924493     PISSN: 0920654X     EISSN: 15734951     Source Type: Journal    
DOI: 10.1007/s10822-009-9264-5     Document Type: Article

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