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Development of a protein–ligand extended connectivity (PLEC) fingerprint and its application for binding affinity predictions
MOTIVATION: Fingerprints (FPs) are the most common small molecule representation in cheminformatics. There are a wide variety of FPs, and the Extended Connectivity Fingerprint (ECFP) is one of the best-suited for general applications. Despite the overall FP abundance, only a few FPs represent the 3D...
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| Publicado en: | Bioinformatics |
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| Autores principales: | , , , |
| Formato: | Artigo |
| Lenguaje: | Inglês |
| Publicado: |
Oxford University Press
2019
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| Materias: | |
| Acceso en línea: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6477977/ https://ncbi.nlm.nih.gov/pubmed/30202917 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1093/bioinformatics/bty757 |
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