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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...
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| Publicado no: | J Cheminform |
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| Main Authors: | , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Springer International Publishing
2018
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| Assuntos: | |
| Acesso em linha: | 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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