Database of bioactive ring systems with calculated properties and its use in bioisosteric design and scaffold hopping

Bioorganic and Medicinal Chemistry

Volumn 20, Issue 18, 2012, Pages 5436-5442

  Ertl, Peter ^a  

^a NOVARTIS PHARMA AG   (Switzerland)

Author keywords

Bioisosteric design; Bioisosteric search; Cheminformatics; Scaffold; Scaffold hopping; Scaffold properties

Indexed keywords

MOLECULAR SCAFFOLD;

ARTICLE; BIOISOSTERIC DESIGN; CHEMICAL ANALYSIS; CHEMICAL BOND; CHEMICAL STRUCTURE; CHEMINFORMATICS; DATA BASE; HYDROGEN BOND; HYDROPHOBICITY; INFORMATION PROCESSING; MOLECULAR INTERACTION; PERMEABILITY; PHARMACOPHORE; PROCESS DESIGN; PROCESS OPTIMIZATION; SOLUBILITY;

DATABASES, PHARMACEUTICAL; DRUG DESIGN; MODELS, MOLECULAR; MOLECULAR STRUCTURE; ORGANIC CHEMICALS; PHARMACEUTICAL PREPARATIONS;

EID: 84866261462     PISSN: 09680896     EISSN: 14643391     Source Type: Journal    
DOI: 10.1016/j.bmc.2012.02.058     Document Type: Article

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