Visualisation and subsets of the chemical universe database GDB-13 for virtual screening

Journal of Computer-Aided Molecular Design

Volumn 25, Issue 7, 2011, Pages 637-647

  Blum, Lorenz C ^a   Van Deursen, Ruud ^a   Reymond, Jean Louis ^a  

^a UNIVERSITY OF BERN   (Switzerland)

Author keywords

Chemical space; Databases; Enumeration; Fragments; Virtual screening

Indexed keywords

ATOMS; CHEMICAL STABILITY; MOLECULES; QUERY PROCESSING; SCAFFOLDS;

CHEMICAL SPACE; CLASSIFIEDS; ENUMERATION; FEASIBILITY RULES; FOLD ENRICHMENTS; FRAGMENT; ORGANIC MOLECULES; SIMPLE++; SYNTHETIC FEASIBILITY; VIRTUAL SCREENING;

DATABASE SYSTEMS;

ADRENALIN; CHLORPHENESIN; ETIRACETAM; GABAPENTIN; MEMANTINE; MENADIONE; METARAMINOL; MEXILETINE; NICOTINE; PHENMETRAZINE; PROPOFOL; RASAGILINE; RIMANTADINE; SEROTONIN; THEOBROMINE;

ARTICLE; DATA BASE; DRUG ACTIVITY; DRUG SCREENING; DRUG STRUCTURE; HYDROGEN BOND; MOLECULAR SIZE; MOLECULAR STABILITY; PRIORITY JOURNAL; VIRTUAL REALITY;

EID: 80955180074     PISSN: 0920654X     EISSN: 15734951     Source Type: Journal    
DOI: 10.1007/s10822-011-9436-y     Document Type: Article

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