Category:
Biological and Medicinal Chemistry
,
Working Paper
, Title:
Construction of balanced, chemically dissimilar training, validation and test sets for machine learning on molecular datasets
, Authors:
Giovanni A. Tricarico, Johan Hofmans, Eelke B. Lenselink, Miriam López-Ramos, Marie-Pierre Dréanic, Pieter F. W. Stouten
Version 3 posted 29 March 2024
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