Assessing the information content of structural and protein–ligand interaction representations for the classification of kinase inhibitor binding modes via machine learning and active learning

Overview of attention for article published in Journal of Cheminformatics, May 2020

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ProLIF: a library to encode molecular interactions as fingerprints

Computational Chemistry Daily, 29 Sep 2021

jcheminf.biomedcentral.com - Interaction fingerprints are vector representations that summarize the three-dimensional nature of…

Assessing the information content of structural and protein–ligand interaction representations for the classification of kinase inhibitor binding modes via machine learning and active learning

Computational Chemistry Daily, 25 May 2020

jcheminf.biomedcentral.com - Type I, I½, and II kinase inhibitors were extracted from X-ray structures of kinase-inhibitor…

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