
Dr David Palmer
Reader
Pure and Applied Chemistry
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Trustee Recipient 1/1/2016 Chemical Structures Association Trust Grant Recipient 2/6/2014 Marie Curie Intra-European Fellowship (FP7-PEOPLE-2010-IEF - 272391 - IETSOL) Recipient 1/2/2012
Area of Expertise
- Theoretical and computational chemistry
- Solvation Thermodynamics
- Molecular Simulation
- Cheminformatics/Bioinformatics
- Drug Discovery
- Biochemistry
- Machine Learning
Prize And Awards
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Global serum profiling an opportunity for earlier cancer detection Sala Alexandra, Cameron James M, Brennan Paul M, Crosbie Emma J, Curran Tom, Gray Ewan, Martin-Hirsch Pierre, Palmer David S, Rehman Ihtesham U, Rattray Nicholas J W, Baker Matthew J Journal of Experimental & Clinical Cancer Research Vol 42 (2023) https://doi.org/10.1186/s13046-023-02786-y Augmentation of FTIR spectral datasets using Wasserstein generative adversarial networks for cancer liquid biopsies McHardy Rose G, Antoniou Georgios, Conn Justin J A, Baker Matthew J, Palmer David S Analyst Vol 148, pp. 3860-3869 (2023) https://doi.org/10.1039/D3AN00669G Recurrent neural networks for time domain modelling of FTIR spectra : application to brain tumour detection Antoniou Georgios, Conn Justin J A, Smith Benjamin R, Brennan Paul M, Baker Matthew J, Palmer David S Analyst Vol 148, pp. 1770-1776 (2023) https://doi.org/10.1039/D2AN02041F Solvation entropy, enthalpy and free energy prediction using a multi-task deep learning functional in 1D-RISM Fowles Daniel J, Palmer David S Physical Chemistry Chemical Physics Vol 25, pp. 6944-6954 (2023) https://doi.org/10.1039/D3CP00199G 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 Jonathan G M, Carter James W, Conn Justin J A, Subramanian Vigneshwari, Baxter Andrew, Engkvist Ola, Llinas Antonio, Ratkova Ekaterina L, Pickett Stephen D, McDonagh James L, Palmer David S Journal of Chemical Information and Modeling Vol 63, pp. 1099-1113 (2023) https://doi.org/10.1021/acs.jcim.2c01189 Liquid biopsies : the future of cancer early detection Connal Siobhan, Cameron James M, Sala Alexandra, Brennan Paul M, Palmer David S, Palmer Joshua D, Perlow Haley, Baker Matthew J Journal of Translational Medicine Vol 21 (2023) https://doi.org/10.1186/s12967-023-03960-8
Publications
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AI for drug discovery Speaker 4/10/2023 Simultaneous Entropy, Enthalpy and Free Energy Prediction using a Physics-Informed Neural Network and Multi-task Learning Speaker 22/8/2023 Cancer Detection using an AI-Enabled Spectroscopic Liquid Biopsy Speaker 9/8/2023 Simultaneous Entropy, Enthalpy and Free Energy Prediction using a Physics-Informed Neural Network and Multi-task Learning Speaker 20/6/2023 Spectral Analysis of Liquid Biopsies Speaker 6/6/2023 Spectral Analysis of Liquid Biopsies Speaker 25/5/2023
Afon Technology. Short Project Palmer, David (Principal Investigator) 01-Jan-2023 - 31-Jan-2023 DTP 2224 University of Strathclyde | Fyfe, Calum Reid, Marc (Principal Investigator) Palmer, David (Co-investigator) Fyfe, Calum (Research Co-investigator) 01-Jan-2022 - 01-Jan-2026 Development of molecular-solvent interaction descriptors to improve accuracy of Quantitative Structure Retention Relationship model Palmer, David (Principal Investigator) 01-Jan-2021 - 31-Jan-2025 Doctoral Training Partnership 2020-2021 University of Strathclyde | Taylor, Madeleine Palmer, David (Principal Investigator) Reid, Marc (Co-investigator) Taylor, Madeleine (Research Co-investigator) 01-Jan-2021 - 01-Jan-2025 Solvation thermodynamics of non-aqueous solvent in the 3D Reference Interaction Site Model (3D-RISM). Palmer, David (Principal Investigator) 256000 CPU hours awarded on Cirrus (EPSRC Tier-2 National HPC Facility at University of Edinburgh) 27-Jan-2021 - 27-Jan-2022 Understanding the Reliability and Transferability of Machine Learning | Russell, Hayley Nelson, David (Principal Investigator) Palmer, David (Co-investigator) Russell, Hayley (Research Co-investigator) 01-Jan-2021 - 01-Jan-2025
Research Interests
The main focus of my research is the development and application of molecular simulation and molecular informatics methods to solve industrially relevant problems at the interface between biochemistry and chemical physics. Recent examples have included the development of new methods for computational drug discovery (in collaboration with AstraZeneca, GSK, and Pfizer) and the design of an enzyme for use in food manufacturing (in collaboration with Chr. Hansen A/S). I am Founding Director of the cancer diagnostics company, Dxcover (formerly ClinSpec Diagnostics Ltd)
Professional Activities
Projects
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Contact
Dr
David
Palmer
Reader
Pure and Applied Chemistry
Email: david.palmer@strath.ac.uk
Tel: 548 4178