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Published in 2022 at "Journal of Cheminformatics"
DOI: 10.1186/s13321-022-00583-x
Abstract: In the era of data science, data-driven algorithms have emerged as powerful platforms that can consolidate bioisosteric rules for preferential modifications on small molecules with a common molecular scaffold. Here we present complementary data-driven algorithms…
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Keywords:
small molecule;
approaches optimize;
optimize small;
machine learning ... See more keywords