| Random forest models to predict aqueous solubility DS Palmer, NM O'Boyle, RC Glen, JBO Mitchell Journal of chemical information and modeling 47 (1), 150-158, 2007 | 452 | 2007 |
| Liquid biopsies: the future of cancer early detection S Connal, JM Cameron, A Sala, PM Brennan, DS Palmer, JD Palmer, ... Journal of translational medicine 21 (1), 118, 2023 | 368 | 2023 |
| Why are some properties more difficult to predict than others? A study of QSPR models of solubility, melting point, and Log P LD Hughes, DS Palmer, F Nigsch, JBO Mitchell Journal of chemical information and modeling 48 (1), 220-232, 2008 | 253 | 2008 |
| Development of high-throughput ATR-FTIR technology for rapid triage of brain cancer HJ Butler, PM Brennan, JM Cameron, D Finlayson, MG Hegarty, ... Nature communications 10 (1), 4501, 2019 | 229 | 2019 |
| Solvation thermodynamics of organic molecules by the molecular integral equation theory: approaching chemical accuracy EL Ratkova, DS Palmer, MV Fedorov Chemical reviews 115 (13), 6312-6356, 2015 | 222 | 2015 |
| Towards a universal method for calculating hydration free energies: a 3D referenceinteraction site model with partial molar volume correction DS Palmer, AI Frolov, EL Ratkova, MV Fedorov Journal of Physics: Condensed Matter 22 (49), 492101, 2010 | 178 | 2010 |
| Predicting intrinsic aqueous solubility by a thermodynamic cycle DS Palmer, A Llinàs, I Morao, GM Day, JM Goodman, RC Glen, ... Mol Pharmaceutics, 2008, 5, 266 279, 2008 | 147* | 2008 |
| Is experimental data quality the limiting factor in predicting the aqueous solubility of druglike molecules? DS Palmer, JBO Mitchell Molecular Pharmaceutics 11 (8), 2962-2972, 2014 | 145 | 2014 |
| Exploring ligand stability in protein crystal structures using binding pose metadynamics L Fusani, DS Palmer, DO Somers, ID Wall Journal of Chemical Information and Modeling 60 (3), 1528-1539, 2020 | 140 | 2020 |
| Biofluid Spectroscopic Disease Diagnostics: A Review on the Processes and Spectral Impact of Drying JM Cameron, HJ Butler, DS Palmer, MJ Baker Journal of Biophotonics, 2018 | 125 | 2018 |
| First-principles calculation of the intrinsic aqueous solubility of crystalline druglike molecules DS Palmer, JL McDonagh, JBO Mitchell, T van Mourik, MV Fedorov Journal of chemical theory and computation 8 (9), 3322-3337, 2012 | 118 | 2012 |
| Hydration free energies of molecular ions from theory and simulation M Misin, MV Fedorov, DS Palmer The Journal of Physical Chemistry B 120 (5), 975-983, 2016 | 88 | 2016 |
| Optimised spectral pre-processing for discrimination of biofluids via ATR-FTIR spectroscopy HJ Butler, BR Smith, R Fritzsch, P Radhakrishnan, DS Palmer, MJ Baker Analyst 143 (24), 6121-6134, 2018 | 82 | 2018 |
| Communication: Accurate hydration free energies at a wide range of temperatures from 3D-RISM M Misin, MV Fedorov, DS Palmer The Journal of Chemical Physics 142 (9), 2015 | 82 | 2015 |
| Hydration thermodynamics using the reference interaction site model: Speed or accuracy? AI Frolov, EL Ratkova, DS Palmer, MV Fedorov The Journal of Physical Chemistry B 115 (19), 6011-6022, 2011 | 76 | 2011 |
| Combining Random Forest and 2D Correlation Analysis to Identify Serum Spectral Signatures for Neurooncology BR Smith, KM Ashton, A Brodbelt, TP Dawson, MD Jenkinson, N Hunt, ... Analyst, 2016 | 73 | 2016 |
| Sequence-dependent DNA structure: a database of octamer structural parameters EJ Gardiner, CA Hunter, MJ Packer, DS Palmer, P Willett Journal of molecular biology 332 (5), 1025-1035, 2003 | 73 | 2003 |
| Accurate calculations of the hydration free energies of druglike molecules using the reference interaction site model DS Palmer, VP Sergiievskyi, F Jensen, MV Fedorov The Journal of chemical physics 133 (4), 2010 | 70 | 2010 |
| Health economic evaluation of a serum-based blood test for brain tumour diagnosis: exploration of two clinical scenarios E Gray, HJ Butler, R Board, PM Brennan, AJ Chalmers, T Dawson, ... BMJ open 8 (5), e017593, 2018 | 66 | 2018 |
| Developing Infrared Spectroscopic Detection for Stratifying Brain Tumour Patients: Glioblastoma Multiforme vs. Lymphoma MJB James M Cameron, Holly J Butler, Benjamin R Smith, Mark G Hegarty ... Analyst, 2019 | 57 | 2019 |
Matthew J BakerChief Technical Officer, Dxcover Ltd & Professor of Early Diagnostics, University of CentralVerified email at uclan.ac.uk
