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 NCBI Filters

Results by year

Table representation of search results timeline featuring number of search results per year.

Year Number of Results
2018 1
2019 1
2020 1
2021 1
2022 1
2024 0

Text availability

Article attribute

Article type

Publication date

Search Results

4 results

Results by year

Filters applied: . Clear all
Page 1
DOCKSTRING: Easy Molecular Docking Yields Better Benchmarks for Ligand Design.
García-Ortegón M, Simm GNC, Tripp AJ, Hernández-Lobato JM, Bender A, Bacallado S. García-Ortegón M, et al. Among authors: hernandez lobato jm. J Chem Inf Model. 2022 Aug 8;62(15):3486-3502. doi: 10.1021/acs.jcim.1c01334. Epub 2022 Jul 18. J Chem Inf Model. 2022. PMID: 35849793 Free PMC article. Review.
Sampling the Variational Posterior with Local Refinement.
Havasi M, Snoek J, Tran D, Gordon J, Hernández-Lobato JM. Havasi M, et al. Among authors: hernandez lobato jm. Entropy (Basel). 2021 Nov 8;23(11):1475. doi: 10.3390/e23111475. Entropy (Basel). 2021. PMID: 34828173 Free PMC article.
Automatic Chemical Design Using a Data-Driven Continuous Representation of Molecules.
Gómez-Bombarelli R, Wei JN, Duvenaud D, Hernández-Lobato JM, Sánchez-Lengeling B, Sheberla D, Aguilera-Iparraguirre J, Hirzel TD, Adams RP, Aspuru-Guzik A. Gómez-Bombarelli R, et al. Among authors: hernandez lobato jm. ACS Cent Sci. 2018 Feb 28;4(2):268-276. doi: 10.1021/acscentsci.7b00572. Epub 2018 Jan 12. ACS Cent Sci. 2018. PMID: 29532027 Free PMC article.