default search action
James L. McDonagh
Person information
Refine list
refinements active!
zoomed in on ?? of ?? records
view refined list in
export refined list as
2020 – today
- 2023
- [j4]Jonathan G. M. Conn, James W. Carter, Justin J. A. Conn, Vigneshwari Subramanian, Andrew Baxter, Ola Engkvist, Antonio Llinàs, Ekaterina Ratkova, Stephen D. Pickett, James L. McDonagh, David S. Palmer:
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. J. Chem. Inf. Model. 63(4): 1099-1113 (2023) - [i1]James L. McDonagh, Benjamin H. Wunsch, Stamatia Zavitsanou, Alexander Harrison, Bruce Elmegreen, Stacey Gifford, Theodore van Kessel, Flaviu S. Cipcigan:
Machine Guided Discovery of Novel Carbon Capture Solvents. CoRR abs/2303.14223 (2023) - 2022
- [c2]Vassilis Vassiliadis, Michael A. Johnston, James L. McDonagh:
Fast, Transparent, and High-Fidelity Memoization Cache-Keys for Computational Workflows. SCC 2022: 174-184
2010 – 2019
- 2019
- [j3]James L. McDonagh, Ardita Shkurti, David J. Bray, Richard L. Anderson, Edward O. Pyzer-Knapp:
Utilizing Machine Learning for Efficient Parameterization of Coarse Grained Molecular Force Fields. J. Chem. Inf. Model. 59(10): 4278-4288 (2019) - 2018
- [c1]Milos Puzovic, Vadim V. Elisseev, Kirk E. Jordan, James L. McDonagh, Alexander Harrison, Robert Sawko:
Improving Performance and Energy Efficiency on OpenPower Systems Using Scalable Hardware-Software Co-design. ISC Workshops 2018: 411-417 - 2016
- [j2]James L. McDonagh, David S. Palmer, Tanja Van Mourik, John B. O. Mitchell:
Are the Sublimation Thermodynamics of Organic Molecules Predictable? J. Chem. Inf. Model. 56(11): 2162-2179 (2016) - 2014
- [j1]James L. McDonagh, Neetika Nath, Luna De Ferrari, Tanja Van Mourik, John B. O. Mitchell:
Uniting Cheminformatics and Chemical Theory To Predict the Intrinsic Aqueous Solubility of Crystalline Druglike Molecules. J. Chem. Inf. Model. 54(3): 844-856 (2014)
Coauthor Index
manage site settings
To protect your privacy, all features that rely on external API calls from your browser are turned off by default. You need to opt-in for them to become active. All settings here will be stored as cookies with your web browser. For more information see our F.A.Q.
Unpaywalled article links
Add open access links from to the list of external document links (if available).
Privacy notice: By enabling the option above, your browser will contact the API of unpaywall.org to load hyperlinks to open access articles. Although we do not have any reason to believe that your call will be tracked, we do not have any control over how the remote server uses your data. So please proceed with care and consider checking the Unpaywall privacy policy.
Archived links via Wayback Machine
For web page which are no longer available, try to retrieve content from the of the Internet Archive (if available).
Privacy notice: By enabling the option above, your browser will contact the API of archive.org to check for archived content of web pages that are no longer available. Although we do not have any reason to believe that your call will be tracked, we do not have any control over how the remote server uses your data. So please proceed with care and consider checking the Internet Archive privacy policy.
Reference lists
Add a list of references from , , and to record detail pages.
load references from crossref.org and opencitations.net
Privacy notice: By enabling the option above, your browser will contact the APIs of crossref.org, opencitations.net, and semanticscholar.org to load article reference information. Although we do not have any reason to believe that your call will be tracked, we do not have any control over how the remote server uses your data. So please proceed with care and consider checking the Crossref privacy policy and the OpenCitations privacy policy, as well as the AI2 Privacy Policy covering Semantic Scholar.
Citation data
Add a list of citing articles from and to record detail pages.
load citations from opencitations.net
Privacy notice: By enabling the option above, your browser will contact the API of opencitations.net and semanticscholar.org to load citation information. Although we do not have any reason to believe that your call will be tracked, we do not have any control over how the remote server uses your data. So please proceed with care and consider checking the OpenCitations privacy policy as well as the AI2 Privacy Policy covering Semantic Scholar.
OpenAlex data
Load additional information about publications from .
Privacy notice: By enabling the option above, your browser will contact the API of openalex.org to load additional information. Although we do not have any reason to believe that your call will be tracked, we do not have any control over how the remote server uses your data. So please proceed with care and consider checking the information given by OpenAlex.
last updated on 2024-04-24 22:53 CEST by the dblp team
all metadata released as open data under CC0 1.0 license
see also: Terms of Use | Privacy Policy | Imprint