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Life beyond the Tanimoto coefficient: similarity measures for interaction fingerprints
BACKGROUND: Interaction fingerprints (IFP) have been repeatedly shown to be valuable tools in virtual screening to identify novel hit compounds that can subsequently be optimized to drug candidates. As a complementary method to ligand docking, IFPs can be applied to quantify the similarity of predic...
Uloženo v:
| Vydáno v: | J Cheminform |
|---|---|
| Hlavní autoři: | , , |
| Médium: | Artigo |
| Jazyk: | Inglês |
| Vydáno: |
Springer International Publishing
2018
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| Témata: | |
| On-line přístup: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6755604/ https://ncbi.nlm.nih.gov/pubmed/30288626 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/s13321-018-0302-y |
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