David S Palmer (David Palmer)

ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 21

Top Venues

Journal of chemical information and modeling

Cancers

Physical chemistry chemical physics : PCCP

The Analyst

University of Cambridge (PHD)

This page only lists publications with an associated author ORCID identifier.

Education History

University of Cambridge

United Kingdom

PHD :: Chemistry

Publications

Francesco Rianjongdee, David S Palmer, Stephen D Pickett, Peter Pogány, Nicholas C O Tomkinson, Darren V S Green
bbSelect - An Open-Source Tool for Performing a 3D Pharmacophore-Driven Diverse Selection of R-Groups. Journal of chemical information and modeling (2024)
Francesco Rianjongdee, David S Palmer, Stephen D Pickett, Peter Pogány, Nicholas C O Tomkinson, Darren V S Green
bbSelect - An Open-Source Tool for Performing a 3D Pharmacophore-Driven Diverse Selection of R-Groups. Journal of chemical information and modeling 64 (12) (2024)
Daniel J Fowles, David S Palmer
Solvation entropy, enthalpy and free energy prediction using a multi-task deep learning functional in 1D-RISM. Physical chemistry chemical physics : PCCP 25 (9) (2023)
Jonathan G M Conn, James W Carter, Justin J A Conn, Vigneshwari Subramanian, Andrew Baxter, Ola Engkvist, Antonio Llinas, Ekaterina L 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. Journal of chemical information and modeling 63 (4) (2023)
Daniel J Fowles, David S Palmer
Solvation entropy, enthalpy and free energy prediction using a multi-task deep learning functional in 1D-RISM. Physical chemistry chemical physics : PCCP (2023)
Erin Bradley, Lucia Fusani, Chun-Wa Chung, Peter D Craggs, Emmanuel H Demont, Philip G Humphreys, Darren J Mitchell, Alex Phillipou, Inmaculada Rioja, Rishi R Shah, Christopher R Wellaway, Rab K Prinjha, David S Palmer, William J Kerr, Marc Reid, Ian D Wall, Rosa Cookson
Structure-Guided Design of a Domain-Selective Bromodomain and Extra Terminal N-Terminal Bromodomain Chemical Probe. Journal of medicinal chemistry (2023)
Jonathan G M Conn, James W Carter, Justin J A Conn, Vigneshwari Subramanian, Andrew Baxter, Ola Engkvist, Antonio Llinas, Ekaterina L 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. Journal of chemical information and modeling (2023)
Jonathan G M Conn, James W Carter, Justin J A Conn, Vigneshwari Subramanian, Andrew Baxter, Ola Engkvist, Antonio Llinas, Ekaterina L 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. Journal of chemical information and modeling 63 (4) (2023)
Jonathan G M Conn, James W Carter, Justin J A Conn, Vigneshwari Subramanian, Andrew Baxter, Ola Engkvist, Antonio Llinas, Ekaterina L 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. Journal of chemical information and modeling 63 (4) (2023)
Jonathan G M Conn, James W Carter, Justin J A Conn, Vigneshwari Subramanian, Andrew Baxter, Ola Engkvist, Antonio Llinas, Ekaterina L 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. Journal of chemical information and modeling 63 (4) (2023)
Rose G McHardy, Georgios Antoniou, Justin J A Conn, Matthew J Baker, David S Palmer
Augmentation of FTIR spectral datasets using Wasserstein generative adversarial networks for cancer liquid biopsies. The Analyst (2023)
Georgios Antoniou, Justin J A Conn, Benjamin R Smith, Paul M Brennan, Matthew J Baker, David S Palmer
Recurrent neural networks for time domain modelling of FTIR spectra: application to brain tumour detection. The Analyst (2023)
Daniel J Fowles, David S Palmer, Rui Guo, Sarah L Price, John B O Mitchell
Toward Physics-Based Solubility Computation for Pharmaceuticals to Rival Informatics. Journal of chemical theory and computation 17 (6) (2021)
Ashton G Theakstone, Paul M Brennan, Michael D Jenkinson, Samantha J Mills, Khaja Syed, Christopher Rinaldi, Yun Xu, Royston Goodacre, Holly J Butler, David S Palmer, Benjamin R Smith, Matthew J Baker
Rapid Spectroscopic Liquid Biopsy for the Universal Detection of Brain Tumours. Cancers 13 (15) (2021)
Lucia Fusani, David S Palmer, Don O Somers, Ian D Wall
Exploring Ligand Stability in Protein Crystal Structures Using Binding Pose Metadynamics. Journal of chemical information and modeling 60 (3) (2020)
James M Cameron, Christopher Rinaldi, Holly J Butler, Mark G Hegarty, Paul M Brennan, Michael D Jenkinson, Khaja Syed, Katherine M Ashton, Timothy P Dawson, David S Palmer, Matthew J Baker
Stratifying Brain Tumour Histological Sub-Types: The Application of ATR-FTIR Serum Spectroscopy in Secondary Care. Cancers 12 (7) (2020)
Vigneshwari Subramanian, Ekaterina Ratkova, David S Palmer, Ola Engkvist, Maxim Fedorov, Antonio Llinas
Multisolvent Models for Solvation Free Energy Predictions Using 3D-RISM Hydration Thermodynamic Descriptors. Journal of chemical information and modeling 60 (6) (2020)
James M Cameron, Justin J A Conn, Christopher Rinaldi, Alexandra Sala, Paul M Brennan, Michael D Jenkinson, Helen Caldwell, Gianfelice Cinque, Khaja Syed, Holly J Butler, Mark G Hegarty, David S Palmer, Matthew J Baker
Interrogation of IDH1 Status in Gliomas by Fourier Transform Infrared Spectroscopy. Cancers 12 (12) (2020)
Holly J Butler, Paul M Brennan, James M Cameron, Duncan Finlayson, Mark G Hegarty, Michael D Jenkinson, David S Palmer, Benjamin R Smith, Matthew J Baker
Development of high-throughput ATR-FTIR technology for rapid triage of brain cancer. Nature communications 10 (1) (2019)
Samiul M Ansari, David S Palmer
Comparative Molecular Field Analysis Using Molecular Integral Equation Theory. Journal of chemical information and modeling 58 (6) (2018)
Samiul M Ansari, Jesper Sørensen, Birgit Schiøtt, David S Palmer
On the effect of mutations in bovine or camel chymosin on the thermodynamics of binding κ-caseins. Proteins 86 (1) (2017)

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Publication Activity (10 Years)

Top Topics

Top Venues

David S Palmer (David Palmer)