Generic placeholder image

Combinatorial Chemistry & High Throughput Screening

Editor-in-Chief

ISSN (Print): 1386-2073
ISSN (Online): 1875-5402

Editorial

Accelerating the Identification of Chemistry-Driven Bioactive Compounds within a Multi-Objective Optimization Framework

Author(s): Georgia Melagraki*

Volume 25, Issue 12, 2022

Published on: 14 January, 2022

Page: [1985 - 1986] Pages: 2

DOI: 10.2174/1386207325666211222163749

conference banner
Next »
[1]
Mullard, A. The drug-maker’s guide to the galaxy. Nature, 2017, 549(7673), 445-447.
[http://dx.doi.org/10.1038/549445a] [PMID: 28959982]
[2]
AI-designed drug to enter human clinical trial for first time. Available from: https://www.ft.com/content/fe55190e-42bf-11ea-a43a-c4b328d9061c (Accessed on: Jul 16, 2021).
[3]
Mouchlis, V.D.; Afantitis, A.; Serra, A.; Fratello, M.; Papadiamantis, A.G.; Aidinis, V.; Lynch, I.; Greco, D.; Melagraki, G. Advances in de novo drug design: From conventional to machine learning methods. Int. J. Mol. Sci., 1676, 2021(22), 1676.
[4]
Schneider, P.; Walters, W.P.; Plowright, A.T.; Sieroka, N.; Listgarten, J.; Goodnow, R.A.; Fisher, J.; Jansen, J.M.; Duca, J.S.; Rush, T.S.; Zentgraf, M.; Hill, J.E.; Krutoholow, E.; Kohler, M.; Blaney, J.; Funatsu, K.; Luebkemann, C.; Schneider, G. Rethinking drug design in the artificial intelligence era. Nat. Rev. Drug Discov., 2019, 19, 353-364.
[5]
Nicolaou, C.A.; Brown, N.; Pattichis, C.S. Molecular optimization using computational multi-objective methods. Curr. Opin. Drug Discov. Devel., 2007, 10(3), 316-324.
[PMID: 17554858]
[6]
Afantitis, A.; Tsoumanis, A.; Melagraki, G. Enalos suite of tools: Enhancing cheminformatics and nanoinformatics through KNIME. Curr. Med. Chem., 2020, 27(38), 6523-6535.
[http://dx.doi.org/10.2174/0929867327666200727114410] [PMID: 32718281]

© 2024 Bentham Science Publishers | Privacy Policy