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Published in 2025 at "Journal of chemical information and modeling"
DOI: 10.1021/acs.jcim.5c00850
Abstract: Human inspection of potential drug compounds is crucial in the virtual drug screening pipeline. However, there is a pressing need to accelerate this process, as the number of molecules humans can realistically examine is extremely…
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Keywords:
visual inspection;
autoparty machine;
machine learning;
learning guided ... See more keywords