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Published in 2024 at "Journal of chemical information and modeling"
DOI: 10.1021/acs.jcim.4c01755
Abstract: We present a simple method for assigning accurate confidence levels to molecular property predictions from regression models. These confidence levels are easy to interpret and useful for making decisions in drug discovery programs. We demonstrate…
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Keywords:
ordinal confidence;
regression model;
level assignments;
assignments regression ... See more keywords