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Year Number of Results
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Human-in-the-loop assisted de novo molecular design.
Sundin I, Voronov A, Xiao H, Papadopoulos K, Bjerrum EJ, Heinonen M, Patronov A, Kaski S, Engkvist O. Sundin I, et al. Among authors: patronov a. J Cheminform. 2022 Dec 28;14(1):86. doi: 10.1186/s13321-022-00667-8. J Cheminform. 2022. PMID: 36578043 Free PMC article.
DockStream: a docking wrapper to enhance de novo molecular design.
Guo J, Janet JP, Bauer MR, Nittinger E, Giblin KA, Papadopoulos K, Voronov A, Patronov A, Engkvist O, Margreitter C. Guo J, et al. Among authors: patronov a. J Cheminform. 2021 Nov 17;13(1):89. doi: 10.1186/s13321-021-00563-7. J Cheminform. 2021. PMID: 34789335 Free PMC article.
22 results