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Tom Whitehead
Tom Whitehead
Intellegens
Verified email at intellegens.ai - Homepage
Title
Cited by
Cited by
Year
Imputation of assay bioactivity data using deep learning
TM Whitehead, BWJ Irwin, P Hunt, MD Segall, GJ Conduit
Journal of chemical information and modeling 59 (3), 1197-1204, 2019
732019
Practical applications of deep learning to impute heterogeneous drug discovery data
BWJ Irwin, JR Levell, TM Whitehead, MD Segall, GJ Conduit
Journal of Chemical Information and Modeling 60 (6), 2848-2857, 2020
672020
Prediction of in vivo pharmacokinetic parameters and time–exposure curves in rats using machine learning from the chemical structure
O Obrezanova, A Martinsson, T Whitehead, S Mahmoud, A Bender, ...
Molecular Pharmaceutics 19 (5), 1488-1504, 2022
422022
Formulation and manufacturing optimization of lithium-ion graphite-based electrodes via machine learning
SX Drakopoulos, A Gholamipour-Shirazi, P MacDonald, RC Parini, ...
Cell Reports Physical Science 2 (12), 2021
412021
Pseudopotential for the two-dimensional contact interaction
TM Whitehead, LM Schonenberg, N Kongsuwan, RJ Needs, GJ Conduit
Physical Review A 93 (4), 042702, 2016
242016
An Open Drug Discovery Competition: Experimental Validation of Predictive Models in a Series of Novel Antimalarials
EG Tse, L Aithani, M Anderson, J Cardoso-Silva, G Cincilla, GJ Conduit, ...
Journal of Medicinal Chemistry 64 (22), 16450-16463, 2021
192021
Imputation versus prediction: applications in machine learning for drug discovery
BWJ Irwin, S Mahmoud, TM Whitehead, GJ Conduit, MD Segall
Future Drug Discovery 2 (2), FDD38, 2020
192020
Jastrow correlation factor for periodic systems
TM Whitehead, MH Michael, GJ Conduit
Physical Review B 94 (3), 035157, 2016
182016
Imputation of sensory properties using deep learning
S Mahmoud, B Irwin, D Chekmarev, S Vyas, J Kattas, T Whitehead, ...
Journal of Computer-Aided Molecular Design 35, 1125-1140, 2021
122021
Deep imputation on large‐scale drug discovery data
BWJ Irwin, TM Whitehead, S Rowland, SY Mahmoud, GJ Conduit, ...
Applied AI Letters 2 (3), e31, 2021
112021
Parameterizing Unresolved Mesoscale Motions in Atmospheric Dispersion Models
HN Webster, T Whitehead, DJ Thomson
Journal of Applied Meteorology and Climatology 57 (3), 645-657, 2018
112018
Multiparticle instability in a spin-imbalanced Fermi gas
TM Whitehead, GJ Conduit
Physical Review B 97 (1), 014502, 2018
72018
Quantifying the benefits of imputation over QSAR methods in toxicology data modeling
TM Whitehead, J Strickland, GJ Conduit, A Borrel, D Mucs, ...
Journal of Chemical Information and Modeling 64 (7), 2624-2636, 2023
52023
Pseudopotentials for an ultracold dipolar gas
TM Whitehead, GJ Conduit
Physical Review A 93 (2), 022706, 2016
52016
Accelerating the Design of Automotive Catalyst Products Using Machine Learning: Leveraging experimental data to guide new formulations
TM Whitehead, F Chen, C Daly, GJ Conduit
Johnson Matthey Technology Review 66 (2), 130-136, 2022
42022
Hyperparameter-free Regularization by Sampling from an Infinite Space of Neural Networks
TM Whitehead
International Journal on Artificial Intelligence Tools 30 (02), 2150008, 2021
22021
Modelling the nicotine pharmacokinetic profile for e-cigarettes using real time monitoring of consumers’ physiological measurements and mouth level exposure
K Prasad, A Griffiths, K Agrawal, M McEwan, F Macci, M Ghisoni, ...
BioData Mining 17 (1), 24, 2024
2024
Adaptive Experimental Design
JCJ Strickland, PFD Woolston, TM Whitehead
The Digital Transformation of Product Formulation, 236-265, 2024
2024
Design of Materials with Alchemite
J Stuckner, TM Whitehead, RC Parini, GJ Conduit, O Benafan, SM Arnold
2022
Communal pairing in spin-imbalanced Fermi gases
DCW Foo, TM Whitehead, GJ Conduit
Europhysics Letters 126 (6), 67003, 2019
2019
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