Accelerated Discovery and Development of New Medicines: Prosperity Partnership for a Healthier Nation

Project: Research

Status	Active
Effective start/end date	1/01/19 → 30/09/24

Peracid oxidation of unactivated sp3 C—H bonds: an important solvent effect
Maciuk, S., Wood, S. H., Patel, V. K., Shapland, P. D. P. & Tomkinson, N. C. O., 8 Mar 2023, (E-pub ahead of print) In: Chemistry - A European Journal. 11 p., e202204007.
Research output: Contribution to journal › Article › peer-review

Open Access
Solvation entropy, enthalpy and free energy prediction using a multi-task deep learning functional in 1D-RISM
Fowles, D. J. & Palmer, D. S., 7 Mar 2023, In: Physical Chemistry Chemical Physics. 25, 9, p. 6944-6954 11 p.
Research output: Contribution to journal › Article › peer-review

Open Access
File
1 Downloads (Pure)
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, J. G. M., Carter, J. W., Conn, J. J. A., Subramanian, V., Baxter, A., Engkvist, O., Llinas, A., Ratkova, E. L., Pickett, S. D., McDonagh, J. L. & Palmer, D. S., 9 Feb 2023, (E-pub ahead of print) In: Journal of Chemical Information and Modeling . p. 1-15 15 p.
Research output: Contribution to journal › Article › peer-review

Open Access
File
1 Downloads (Pure)

AI for Drug Discovery
David Palmer (Speaker)
8 Nov 2022 → 10 Nov 2022
Activity: Talk or presentation types › Invited talk
Machine learning from continuous functions: applications to solvation thermodynamics and cancer diagnostics
David Palmer (Speaker)
5 Sep 2022
Activity: Talk or presentation types › Invited talk

Project Details