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In Silico Driven Design and Synthesis of Rhodanine Derivatives as Novel Antibacterials Targeting the Enoyl Reductase InhA.
J Med Chem. 2016 Dec 22;59(24):10917-10928. doi: 10.1021/acs.jmedchem.5b01620. Epub 2016 Dec 9.
J Med Chem. 2016.
PMID: 26730986
Prediction of Chromatography Conditions for Purification in Organic Synthesis Using Deep Learning.
Vaškevičius M, Kapočiūtė-Dzikienė J, Šlepikas L.
Vaškevičius M, et al. Among authors: slepikas l.
Molecules. 2021 Apr 23;26(9):2474. doi: 10.3390/molecules26092474.
Molecules. 2021.
PMID: 33922736
Free PMC article.
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Deep learning-based automatic action extraction from structured chemical synthesis procedures.
Vaškevičius M, Kapočiūtė-Dzikienė J, Vaškevičius A, Šlepikas L.
Vaškevičius M, et al. Among authors: slepikas l.
PeerJ Comput Sci. 2023 Aug 18;9:e1511. doi: 10.7717/peerj-cs.1511. eCollection 2023.
PeerJ Comput Sci. 2023.
PMID: 37705639
Free PMC article.
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