Early phase drug discovery: Cheminformatics and computational techniques in identifying lead series

Bioorganic and Medicinal Chemistry

Volumn 20, Issue 18, 2012, Pages 5324-5342

  Duffy, Bryan C ^a   Zhu, Lei ^a   Decornez, Hélène ^a   Kitchen, Douglas B ^a  

^a ALBANY MOLECULAR RESEARCH INC   (United States)

Author keywords

Chemical databases; Cheminformatics; Drug like properties; High throughput screening analysis; Hit to lead; Lead like properties

Indexed keywords

ARTICLE; BIODIVERSITY; BIOINFORMATICS; CANCER RESEARCH; CHEMOINFORMATICS; CLUSTER ANALYSIS; COMPUTER PROGRAM; CONFORMATION; COST; DRUG RESEARCH; FALSE POSITIVE RESULT; FILTER; HIGH THROUGHPUT SCREENING; HIT TO LEAD; IC 50; IMAGE DISPLAY; INFORMATION PROCESSING; INFORMATION RETRIEVAL; LIGAND BINDING; MATHEMATICAL ANALYSIS; MOLECULAR DYNAMICS; MOLECULAR LIBRARY; NUCLEAR MAGNETIC RESONANCE; PHYSICAL CHEMISTRY; RECEIVER OPERATING CHARACTERISTIC; SCORING SYSTEM; SIGNAL NOISE RATIO; STRUCTURE ACTIVITY RELATION; X RAY;

DRUG DISCOVERY; HIGH-THROUGHPUT SCREENING ASSAYS; INFORMATICS; MOLECULAR STRUCTURE; PHARMACEUTICAL PREPARATIONS; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 84866241579     PISSN: 09680896     EISSN: 14643391     Source Type: Journal    
DOI: 10.1016/j.bmc.2012.04.062     Document Type: Article

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