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Timothy E H Allen
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Defining molecular initiating events in the adverse outcome pathway framework for risk assessment
TEH Allen, JM Goodman, S Gutsell, PJ Russell
Chemical Research in Toxicology 27 (12), 2100-2112, 2014
1672014
CATMoS: collaborative acute toxicity modeling suite
K Mansouri, AL Karmaus, J Fitzpatrick, G Patlewicz, P Pradeep, D Alberga, ...
Environmental health perspectives 129 (4), 047013, 2021
832021
Machine learning in predictive toxicology: recent applications and future directions for classification models
MWH Wang, JM Goodman, TEH Allen
Chemical research in toxicology 34 (2), 217-239, 2020
632020
A History of the Molecular Initiating Event
TEH Allen, JM Goodman, S Gutsell, PJ Russell
Chemical Research in Toxicology 29 (11), 2060-2070, 2016
492016
Vision of a near future: Bridging the human health–environment divide. Toward an integrated strategy to understand mechanisms across species for chemical safety assessment
C Rivetti, TEH Allen, JB Brown, E Butler, PL Carmichael, JK Colbourne, ...
Toxicology In Vitro 62, 104692, 2020
382020
Using 2D structural alerts to define chemical categories for molecular initiating events
TEH Allen, JM Goodman, S Gutsell, PJ Russell
Toxicological Sciences 165 (1), 213-223, 2018
332018
Machine Learning Informs RNA‐Binding Chemical Space
K Yazdani, D Jordan, M Yang, CR Fullenkamp, DR Calabrese, R Boer, ...
Angewandte Chemie 135 (11), e202211358, 2023
282023
Characterizing the coverage of critical effects relevant in the safety evaluation of food additives by AOPs
NI Kramer, Y Hoffmans, S Wu, A Thiel, N Thatcher, TEH Allen, S Levorato, ...
Archives of Toxicology 93, 2115-2125, 2019
272019
Neural network activation similarity: a new measure to assist decision making in chemical toxicology
TEH Allen, AJ Wedlake, E Gelžinytė, C Gong, JM Goodman, S Gutsell, ...
Chemical science 11 (28), 7335-7348, 2020
202020
Using transition state modeling to predict mutagenicity for michael acceptors
TEH Allen, MN Grayson, JM Goodman, S Gutsell, PJ Russell
Journal of Chemical Information and Modeling 58 (6), 1266-1271, 2018
202018
Structural alerts and random forest models in a consensus approach for receptor binding molecular initiating events
AJ Wedlake, M Folia, S Piechota, TEH Allen, JM Goodman, S Gutsell, ...
Chemical Research in Toxicology 33 (2), 388-401, 2019
192019
Using Molecular Initiating Events to generate 2D structure–activity relationships for toxicity screening
TEH Allen, S Liggi, JM Goodman, S Gutsell, PJ Russell
Chemical Research in Toxicology 29 (10), 1611-1627, 2016
192016
Quantitative predictions for molecular initiating events using three-dimensional Quantitative Structure–Activity Relationships
TEH Allen, JM Goodman, S Gutsell, PJ Russell
Chemical Research in Toxicology 33 (2), 324-332, 2019
172019
The use of adverse outcome pathways in the safety evaluation of food additives
M Vinken, N Kramer, TEH Allen, Y Hoffmans, N Thatcher, S Levorato, ...
Archives of Toxicology 94, 959-966, 2020
152020
Identification of a novel toxicophore in anti-cancer chemotherapeutics that targets mitochondrial respiratory complex I
ZA Stephenson, RF Harvey, KR Pryde, S Mistry, RE Hardy, R Serreli, ...
Elife 9, e55845, 2020
142020
Computers as Scientists
TEH Allen
Machine Learning in Chemistry, 1-15, 2020
14*2020
The role of ‘big data’and ‘in silico’New Approach Methodologies (NAMs) in ending animal use–A commentary on progress
RN Ram, D Gadaleta, TEH Allen
Computational Toxicology 23, 100232, 2022
72022
In silico guidance for in vitro androgen and glucocorticoid receptor ToxCast assays
TEH Allen, MD Nelms, SW Edwards, JM Goodman, S Gutsell, PJ Russell
Environmental Science & Technology 54 (12), 7461-7470, 2020
62020
Confidence in inactive and active predictions from structural alerts
AJ Wedlake, TEH Allen, JM Goodman, S Gutsell, P Kukic, PJ Russell
Chemical Research in Toxicology 33 (12), 3010-3022, 2020
32020
Towards quantifying the uncertainty in in silico predictions using Bayesian learning
TEH Allen, AM Middleton, JM Goodman, PJ Russell, P Kukic, S Gutsell
Computational Toxicology 23, 100228, 2022
22022
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Articles 1–20