This is a preview of subscription content, access via your institution
Relevant articles
Open Access articles citing this article.
-
AI is a viable alternative to high throughput screening: a 318-target study
Scientific Reports Open Access 02 April 2024
-
AI-driven molecular generation of not-patented pharmaceutical compounds using world open patent data
Journal of Cheminformatics Open Access 13 December 2023
-
Generative artificial intelligence
Electronic Markets Open Access 06 December 2023
Access options
Access Nature and 54 other Nature Portfolio journals
Get Nature+, our best-value online-access subscription
$29.99 / 30 days
cancel any time
Subscribe to this journal
Receive 12 print issues and online access
$209.00 per year
only $17.42 per issue
Buy this article
- Purchase on Springer Link
- Instant access to full article PDF
Prices may be subject to local taxes which are calculated during checkout
References
Griffen, E. J., Dossetter, A. G., Leach, A. G. & Montague, S. Drug Discov. Today 18, 725–731 (2018).
Vamathevan, J. et al. Nat. Rev. Drug Discov. 18, 463–477 (2019).
Putin, E. et al. Mol. Pharm. 15, 4386–4397 (2018).
Segler, M. H. S., Kogej, T., Tyrchan, C. & Waller, M. P. ACS Cent. Sci. 4, 120–131 (2018).
Jørgensen, P. B., Schmidt, M. N. & Winther, O. Mol. Inform. 37, 1700133 (2018).
Schneider, G. Mol. Inform. 37, 1880131 (2018).
Kadurin, A., Nikolenko, S., Khrabrov, K., Aliper, A. & Zhavoronkov, A. Mol. Pharm. 14, 3098–3104 (2017).
Dimitrov, T., Kreisbeck, C., Becker, J. S., Aspuru-Guzik, A. & Saikin, S. K. ACS Appl. Mater. Interfaces 11, 24825–24836 (2019).
Gómez-Bombarelli, R. et al. ACS Cent. Sci. 4, 268–276 (2018).
Weininger, D. J. Chem. Inf. Comput. Sci. 28, 31–36 (1988).
Schneider, G. & Fechner, U. Nat. Rev. Drug Discov. 4, 649–663 (2005).
Brown, N., Fiscato, M., Segler, M. H. S. & Vaucher, A. C. J. Chem. Inf. Model. 59, 1096–1108 (2019).
Polykovskiy, D. et al. Preprint at https://arxiv.org/abs/1811.12823v3 (2018).
Merk, D., Friedrich, L., Grisoni, F. & Schneider, G. Mol. Inform. 37, 1700153 (2018).
Zhavoronkov, A. et al. Nat. Biotechnol. 37, 1038–1040 (2019).
Colangelo, M. LinkedIn https://www.linkedin.com/pulse/pharmas-alphago-moment-first-time-ai-has-designed-new-colangelo/ (3 September 2019).
Silver, D. et al. Nature 529, 484–489 (2016).
Gao, M. et al. J. Med. Chem. 56, 3281–3295 (2013).
Tan, F. H., Putoczki, T. L., Stylli, S. S. & Luwor, R. B. Oncotargets Ther. 12, 635–645 (2019).
Canning, P. et al. J. Mol. Biol. 426, 2457–2470 (2014).
Stewart, K. D., Shiroda, M. & James, C. A. Bioorg. Med. Chem. 14, 7011–7022 (2006).
Hessler, G. & Baringhaus, K. Drug Discov. Today Technol. 7, e263–e269 (2010).
Leach, A. R. & Lewis, R. A. J. Comput. Chem. 15, 233–240 (1994).
Stahl, M. & Bajorath, J. J. Med. Chem. 54, 1–2 (2011).
Author information
Authors and Affiliations
Corresponding author
Ethics declarations
Competing interests
W.P.W. is employed by, and M.M. is a member of the Board of Diretors of, Relay Therapeutics.
Rights and permissions
About this article
Cite this article
Walters, W.P., Murcko, M. Assessing the impact of generative AI on medicinal chemistry. Nat Biotechnol 38, 143–145 (2020). https://doi.org/10.1038/s41587-020-0418-2
Published:
Issue Date:
DOI: https://doi.org/10.1038/s41587-020-0418-2
This article is cited by
-
Generative AI for designing and validating easily synthesizable and structurally novel antibiotics
Nature Machine Intelligence (2024)
-
Analyzing behavioral intentions toward Generative Artificial Intelligence: the case of ChatGPT
Universal Access in the Information Society (2024)
-
AI is a viable alternative to high throughput screening: a 318-target study
Scientific Reports (2024)
-
AI-driven molecular generation of not-patented pharmaceutical compounds using world open patent data
Journal of Cheminformatics (2023)
-
A systematic study of key elements underlying molecular property prediction
Nature Communications (2023)