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

ABSTRACT: 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. Although a number of ML-based studies have been published, most studies only report fragments of the wider range of bioactivities wherein each model typically focuses on a particular disease. This study introduces FP-MAP, an extensive atlas of fingerprint-based prediction models that covers a diverse range of activities including neglected tropical diseases (caused by viral, bacterial and parasitic pathogens) as well as other targets implicated in diseases such as Alzheimer's. To arrive at the best p

SUBMITTER: Venkatraman V 

PROVIDER: S-EPMC10462816 | biostudies-literature | 2023

REPOSITORIES: biostudies-literature