Similarity and Dissimilarity Methods for Processing Chemical Structure Databases
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Publication:4242998
DOI10.1093/COMJNL/41.8.547zbMATH Open0920.68047OpenAlexW1963498695MaRDI QIDQ4242998FDOQ4242998
Authors: Valerie J. Gillet, David J. Wild, Peter K. Willett 
Publication date: 11 May 1999
Published in: The Computer Journal (Search for Journal in Brave)
Full work available at URL: https://semanticscholar.org/paper/4ed5112c4bda2f34d9e2a9ac4f78d4654f38e9a3
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- Development of \(Ki\)Bank, a database supporting structure-based drug design
- A study on Goldbach conjecture
- Application of the Weighted Power-Weakness Ratio (wPWR) as a fusion rule in Ligand-Based virtual screening
- A new quantitative structure-property relationship approach using dissimilarity measurements based on topological distances of non-isomorphic subgraphs
- Assessment of chemical libraries for their druggability
- Putting molecular similarity into context: asymmetric indices for field-based similarity meas\-ures
- Ultrafast shape recognition for similarity search in molecular databases
- Graph representations of molecular similarity measures based on topological resolution
- A metric space approach on the molecular vs. chemical similarity of some analgesic and euphoric compounds
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