David O. Williams Rogers
BIOVIA
1 paper in the Anchorcite directory, published in 2010, cited 8,040 times in total.
ORCID profileResearch topics
- Computational Drug Discovery Methods · 1 paper
- Protein Structure and Dynamics · 1 paper
- Plant biochemistry and biosynthesis · 1 paper
Frequent co-authors
- Mathew Hahn · 1 paper
Papers
- Extended-Connectivity FingerprintsJournal of Chemical Information and Modeling · 2010 · 8,040 citations
Extended-connectivity fingerprints (ECFPs) are a novel class of topological fingerprints for molecular characterization. Historically, topological fingerprints were developed for substructure and similarity searching. ECFPs were developed specifically for structure-activity modeling. ECFPs are circular fingerprints with a number of useful qualities:…
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