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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Detalles Bibliográficos
Autores principales: Wójcikowski, Maciej, Kukiełka, Michał, Stepniewska-Dziubinska, Marta M, Siedlecki, Pawel
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Oxford University Press 2019
Materias:
Original Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6477977/
https://www.ncbi.nlm.nih.gov/pubmed/30202917
http://dx.doi.org/10.1093/bioinformatics/bty757

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6477977/
https://www.ncbi.nlm.nih.gov/pubmed/30202917
http://dx.doi.org/10.1093/bioinformatics/bty757

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