Assessment of chemical libraries for their druggability

DOI10.1016/J.COMPBIOLCHEM.2004.11.003MaRDI QIDQ2500267zbMATH OpenOpenAlexDBLPWikidataFDO

Authors Suzanna Sirois, George Hatzakis, Dong-Qing Wei, Kuo-Chen Chou, Qi-Shi Du

Publication date 23 August 2006

Published in Computational Biology and Chemistry (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1016/j.compbiolchem.2004.11.003

zbMATH Keywords

12-Metric scoring functionDatabase scoreDrug scoreHigh throughput screening (HTS)Targeted compound libraries

Mathematics Subject Classification ID

Information storage and retrieval of data (68P20) Biochemistry, molecular biology (92C40)

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Cited in

(4)

• Development of \(Ki\)Bank, a database supporting structure-based drug design
• iCDI-PseFpt: identify the channel-drug interaction in cellular networking with PseAAC and molecular fingerprints
• Application of the Weighted Power-Weakness Ratio (wPWR) as a fusion rule in Ligand-Based virtual screening
• Sensitivity Analysis Aimed at Finding Potential Molecular Drug Targets

Describes a project that uses

Uses Software

• MOE
• GCG

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