Articles with "molecules transformer" as a keyword



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Can We Quickly Learn to "Translate" Bioactive Molecules with Transformer Models?

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Published in 2023 at "Journal of chemical information and modeling"

DOI: 10.1021/acs.jcim.2c01618

Abstract: Meaningful exploration of the chemical space of druglike molecules in drug design is a highly challenging task due to a combinatorial explosion of possible modifications of molecules. In this work, we address this problem with… read more here.

Keywords: learn translate; translate bioactive; transformer models; molecules transformer ... See more keywords