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Chemoinformatic Consideration of Novel Psychoactive Substances: Compilation and Preliminary Analysis of a Categorised Dataset.
Mol Inform. 2019 Aug;38(8-9):e1800142. doi: 10.1002/minf.201800142. Epub 2019 Jan 17.
Mol Inform. 2019.
PMID: 30653822
Determination of "fitness-for-purpose" of quantitative structure-activity relationship (QSAR) models to predict (eco-)toxicological endpoints for regulatory use.
Belfield SJ, Enoch SJ, Firman JW, Madden JC, Schultz TW, Cronin MTD.
Belfield SJ, et al.
Regul Toxicol Pharmacol. 2021 Jul;123:104956. doi: 10.1016/j.yrtph.2021.104956. Epub 2021 May 9.
Regul Toxicol Pharmacol. 2021.
PMID: 33979632
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Making in silico predictive models for toxicology FAIR.
Cronin MTD, Belfield SJ, Briggs KA, Enoch SJ, Firman JW, Frericks M, Garrard C, Maccallum PH, Madden JC, Pastor M, Sanz F, Soininen I, Sousoni D.
Cronin MTD, et al. Among authors: belfield sj.
Regul Toxicol Pharmacol. 2023 May;140:105385. doi: 10.1016/j.yrtph.2023.105385. Epub 2023 Apr 8.
Regul Toxicol Pharmacol. 2023.
PMID: 37037390
Free article.
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Guidance for good practice in the application of machine learning in development of toxicological quantitative structure-activity relationships (QSARs).
Belfield SJ, Cronin MTD, Enoch SJ, Firman JW.
Belfield SJ, et al.
PLoS One. 2023 May 10;18(5):e0282924. doi: 10.1371/journal.pone.0282924. eCollection 2023.
PLoS One. 2023.
PMID: 37163504
Free PMC article.
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Evaluation of QSAR models for predicting mutagenicity: outcome of the Second Ames/QSAR international challenge project.
Furuhama A, Kitazawa A, Yao J, Matos Dos Santos CE, Rathman J, Yang C, Ribeiro JV, Cross K, Myatt G, Raitano G, Benfenati E, Jeliazkova N, Saiakhov R, Chakravarti S, Foster RS, Bossa C, Battistelli CL, Benigni R, Sawada T, Wasada H, Hashimoto T, Wu M, Barzilay R, Daga PR, Clark RD, Mestres J, Montero A, Gregori-Puigjané E, Petkov P, Ivanova H, Mekenyan O, Matthews S, Guan D, Spicer J, Lui R, Uesawa Y, Kurosaki K, Matsuzaka Y, Sasaki S, Cronin MTD, Belfield SJ, Firman JW, Spînu N, Qiu M, Keca JM, Gini G, Li T, Tong W, Hong H, Liu Z, Igarashi Y, Yamada H, Sugiyama KI, Honma M.
Furuhama A, et al. Among authors: belfield sj.
SAR QSAR Environ Res. 2023 Oct-Dec;34(12):983-1001. doi: 10.1080/1062936X.2023.2284902. Epub 2023 Dec 4.
SAR QSAR Environ Res. 2023.
PMID: 38047445
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Development of an adverse outcome pathway network for nephrotoxicity.
Barnes DA, Firman JW, Belfield SJ, Cronin MTD, Vinken M, Janssen MJ, Masereeuw R.
Barnes DA, et al. Among authors: belfield sj.
Arch Toxicol. 2024 Mar;98(3):929-942. doi: 10.1007/s00204-023-03637-7. Epub 2024 Jan 10.
Arch Toxicol. 2024.
PMID: 38197913
Free PMC article.
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