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

Text availability

Article attribute

Article type

Publication date

Search Results

89 results

Filters applied: . Clear all
Results are displayed in a computed author sort order. The Results By Year timeline is not available.
Page 1
Findings of the challenge to predict aqueous solubility.
Hopfinger AJ, Esposito EX, Llinàs A, Glen RC, Goodman JM. Hopfinger AJ, et al. Among authors: llinas a. J Chem Inf Model. 2009 Jan;49(1):1-5. doi: 10.1021/ci800436c. J Chem Inf Model. 2009. PMID: 19117422 No abstract available.
Predicting intrinsic aqueous solubility by a thermodynamic cycle.
Palmer DS, Llinàs A, Morao I, Day GM, Goodman JM, Glen RC, Mitchell JB. Palmer DS, et al. Among authors: llinas a. Mol Pharm. 2008 Mar-Apr;5(2):266-79. doi: 10.1021/mp7000878. Epub 2008 Feb 22. Mol Pharm. 2008. PMID: 18290628
Polymorph control: past, present and future.
Llinàs A, Goodman JM. Llinàs A, et al. Drug Discov Today. 2008 Mar;13(5-6):198-210. doi: 10.1016/j.drudis.2007.11.006. Epub 2008 Jan 14. Drug Discov Today. 2008. PMID: 18342795 Review.
Blinded Predictions and Post Hoc Analysis of the Second Solubility Challenge Data: Exploring Training Data and Feature Set Selection for Machine and Deep Learning Models.
Conn JGM, Carter JW, Conn JJA, Subramanian V, Baxter A, Engkvist O, Llinas A, Ratkova EL, Pickett SD, McDonagh JL, Palmer DS. Conn JGM, et al. Among authors: llinas a. J Chem Inf Model. 2023 Feb 27;63(4):1099-1113. doi: 10.1021/acs.jcim.2c01189. Epub 2023 Feb 9. J Chem Inf Model. 2023. PMID: 36758178 Free PMC article.
89 results