FP-MAP: an extensive library of fingerprint-based molecular activity prediction tools

Discovering new drugs for disease treatment is challenging, requiring a multidisciplinary effort as well as time, and resources. With a view to improving hit discovery and lead compound identification, machine learning (ML) approaches are being increasingly used in the decision-making process. Altho...

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Bibliographic Details
Main Author: Vishwesh Venkatraman
Format: Article
Language:English
Published: Frontiers Media S.A. 2023-08-01
Series:Frontiers in Chemistry
Subjects:
Online Access:https://www.frontiersin.org/articles/10.3389/fchem.2023.1239467/full