Skip to main page content
U.S. flag

An official website of the United States government

Dot gov

The .gov means it’s official.
Federal government websites often end in .gov or .mil. Before sharing sensitive information, make sure you’re on a federal government site.

Https

The site is secure.
The https:// ensures that you are connecting to the official website and that any information you provide is encrypted and transmitted securely.

Access keys NCBI Homepage MyNCBI Homepage Main Content Main Navigation

Search Page

Filters

My Custom Filters

Publication date

Text availability

Article attribute

Article type

Additional filters

Article Language

Species

Sex

Age

Other

Search Results

20 results

Filters applied: . Clear all
Results are displayed in a computed author sort order. The Publication Date timeline is not available.
Page 1
Navigating the DNA encoded libraries chemical space.
Martín A, Nicolaou CA, Toledo MA. Martín A, et al. Among authors: nicolaou ca. Commun Chem. 2020 Sep 11;3(1):127. doi: 10.1038/s42004-020-00374-1. Commun Chem. 2020. PMID: 36703354 Free PMC article.
Idea2Data: Toward a New Paradigm for Drug Discovery.
Nicolaou CA, Humblet C, Hu H, Martin EM, Dorsey FC, Castle TM, Burton KI, Hu H, Hendle J, Hickey MJ, Duerksen J, Wang J, Erickson JA. Nicolaou CA, et al. ACS Med Chem Lett. 2019 Feb 4;10(3):278-286. doi: 10.1021/acsmedchemlett.8b00488. eCollection 2019 Mar 14. ACS Med Chem Lett. 2019. PMID: 30891127 Free PMC article.
Context Aware Data-Driven Retrosynthetic Analysis.
Nicolaou CA, Watson IA, LeMasters M, Masquelin T, Wang J. Nicolaou CA, et al. J Chem Inf Model. 2020 Jun 22;60(6):2728-2738. doi: 10.1021/acs.jcim.9b01141. Epub 2020 Apr 24. J Chem Inf Model. 2020. PMID: 32282195
Current and Future Roles of Artificial Intelligence in Medicinal Chemistry Synthesis.
Struble TJ, Alvarez JC, Brown SP, Chytil M, Cisar J, DesJarlais RL, Engkvist O, Frank SA, Greve DR, Griffin DJ, Hou X, Johannes JW, Kreatsoulas C, Lahue B, Mathea M, Mogk G, Nicolaou CA, Palmer AD, Price DJ, Robinson RI, Salentin S, Xing L, Jaakkola T, Green WH, Barzilay R, Coley CW, Jensen KF. Struble TJ, et al. Among authors: nicolaou ca. J Med Chem. 2020 Aug 27;63(16):8667-8682. doi: 10.1021/acs.jmedchem.9b02120. Epub 2020 Apr 14. J Med Chem. 2020. PMID: 32243158 Free PMC article.
Exploration of Ultralarge Compound Collections for Drug Discovery.
Warr WA, Nicklaus MC, Nicolaou CA, Rarey M. Warr WA, et al. Among authors: nicolaou ca. J Chem Inf Model. 2022 May 9;62(9):2021-2034. doi: 10.1021/acs.jcim.2c00224. Epub 2022 Apr 14. J Chem Inf Model. 2022. PMID: 35421301 Review.
A retrosynthetic analysis algorithm implementation.
Watson IA, Wang J, Nicolaou CA. Watson IA, et al. Among authors: nicolaou ca. J Cheminform. 2019 Jan 3;11(1):1. doi: 10.1186/s13321-018-0323-6. J Cheminform. 2019. PMID: 30604073 Free PMC article.
20 results