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Modelling the nicotine pharmacokinetic profile for e-cigarettes using real time monitoring of consumers' physiological measurements and mouth level exposure.
Prasad K, Griffiths A, Agrawal K, McEwan M, Macci F, Ghisoni M, Stopher M, Napleton M, Strickland J, Keating D, Whitehead T, Conduit G, Murray S, Edward L. Prasad K, et al. Among authors: whitehead t. BioData Min. 2024 Jul 17;17(1):24. doi: 10.1186/s13040-024-00375-z. BioData Min. 2024. PMID: 39020394 Free PMC article.
Imputation of Assay Bioactivity Data Using Deep Learning.
Whitehead TM, Irwin BWJ, Hunt P, Segall MD, Conduit GJ. Whitehead TM, et al. J Chem Inf Model. 2019 Mar 25;59(3):1197-1204. doi: 10.1021/acs.jcim.8b00768. Epub 2019 Feb 21. J Chem Inf Model. 2019. PMID: 30753070
Prediction of In Vivo Pharmacokinetic Parameters and Time-Exposure Curves in Rats Using Machine Learning from the Chemical Structure.
Obrezanova O, Martinsson A, Whitehead T, Mahmoud S, Bender A, Miljković F, Grabowski P, Irwin B, Oprisiu I, Conduit G, Segall M, Smith GF, Williamson B, Winiwarter S, Greene N. Obrezanova O, et al. Among authors: whitehead t. Mol Pharm. 2022 May 2;19(5):1488-1504. doi: 10.1021/acs.molpharmaceut.2c00027. Epub 2022 Apr 12. Mol Pharm. 2022. PMID: 35412314
Imputation of sensory properties using deep learning.
Mahmoud S, Irwin B, Chekmarev D, Vyas S, Kattas J, Whitehead T, Mansley T, Bikker J, Conduit G, Segall M. Mahmoud S, et al. Among authors: whitehead t. J Comput Aided Mol Des. 2021 Nov;35(11):1125-1140. doi: 10.1007/s10822-021-00424-3. Epub 2021 Oct 30. J Comput Aided Mol Des. 2021. PMID: 34716833
An Open Drug Discovery Competition: Experimental Validation of Predictive Models in a Series of Novel Antimalarials.
Tse EG, Aithani L, Anderson M, Cardoso-Silva J, Cincilla G, Conduit GJ, Galushka M, Guan D, Hallyburton I, Irwin BWJ, Kirk K, Lehane AM, Lindblom JCR, Lui R, Matthews S, McCulloch J, Motion A, Ng HL, Öeren M, Robertson MN, Spadavecchio V, Tatsis VA, van Hoorn WP, Wade AD, Whitehead TM, Willis P, Todd MH. Tse EG, et al. J Med Chem. 2021 Nov 25;64(22):16450-16463. doi: 10.1021/acs.jmedchem.1c00313. Epub 2021 Nov 8. J Med Chem. 2021. PMID: 34748707 Free article.
Engineered Stop and Go T7 RNA Polymerases.
Baumer ZT, Newton MS, Löfstrand L, Carpio Paucar GN, Farny NG, Whitehead TA. Baumer ZT, et al. Among authors: whitehead ta. ACS Synth Biol. 2024 Nov 28. doi: 10.1021/acssynbio.4c00627. Online ahead of print. ACS Synth Biol. 2024. PMID: 39610115
510 results