James L. McDonagh
Orcid: 0000-0002-2323-6898
According to our database1,
James L. McDonagh
authored at least 7 papers
between 2014 and 2023.
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Book In proceedings Article PhD thesis Dataset OtherLinks
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Bibliography
2023
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., February, 2023
2022
Fast, Transparent, and High-Fidelity Memoization Cache-Keys for Computational Workflows.
Proceedings of the IEEE International Conference on Services Computing, 2022
2019
Utilizing Machine Learning for Efficient Parameterization of Coarse Grained Molecular Force Fields.
J. Chem. Inf. Model., 2019
2018
Improving Performance and Energy Efficiency on OpenPower Systems Using Scalable Hardware-Software Co-design.
Proceedings of the High Performance Computing, 2018
2016
J. Chem. Inf. Model., 2016
2014
Uniting Cheminformatics and Chemical Theory To Predict the Intrinsic Aqueous Solubility of Crystalline Druglike Molecules.
J. Chem. Inf. Model., 2014