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| http://dx.doi.org/10.1002/mdc3.12989 | DOI Listing |
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Motivation: Most drugs start on their journey inside the body by binding the right target proteins. This is the reason that numerous efforts have been devoted to predicting the drug-target binding during drug development. However, the inherent diversity among molecular properties, coupled with limited training data availability, poses challenges to the accuracy and generalizability of these methods beyond their training domain.
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Department of Immunology, Harvard Medical School, Boston, MA, USA. Electronic address:
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