Research output per year
Research output per year
Description
Data for small molecule pKa prediction models
The data herein includes DFT validation outputs, trajectory files and numpy arrays used for the above work.
The data herein includes DFT validation outputs, trajectory files and numpy arrays used for the above work.
| Date made available | 6 Jun 2025 |
|---|---|
| Publisher | University of Strathclyde |
| Date of data production | Oct 2024 - Apr 2025 |
Research output
- 1 Article
-
Application of neural network potentials to modelling transition states
Urquhart, R. J., van Teijlingen, A. & Tuttle, T., 30 Jun 2025, (E-pub ahead of print) In: Chemical Communications. 4 p.Research output: Contribution to journal › Article › peer-review
Open AccessFile