Papyrus: a large-scale curated dataset aimed at bioactivity predictions

Abstract With the ongoing rapid growth of publicly available ligand–protein bioactivity data, there is a trove of valuable data that can be used to train a plethora of machine-learning algorithms. However, not all data is equal in terms of size and quality and a significant portion of researchers’ t...

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Bibliographic Details
Main Authors: O. J. M. Béquignon, B. J. Bongers, W. Jespers, A. P. IJzerman, B. van der Water, G. J. P. van Westen
Format: Article
Language:English
Published: BMC 2023-01-01
Series:Journal of Cheminformatics
Subjects:
Online Access:https://doi.org/10.1186/s13321-022-00672-x