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In silico prediction of volume of distribution of drugs in man using conformal prediction performs on par with animal data-based models.
Xenobiotica. 2021 Dec;51(12):1366-1371. doi: 10.1080/00498254.2021.2011471. Epub 2021 Dec 8.
Xenobiotica. 2021.
PMID: 34845977
Predicting Off-Target Binding Profiles With Confidence Using Conformal Prediction.
Lampa S, Alvarsson J, Arvidsson Mc Shane S, Berg A, Ahlberg E, Spjuth O.
Lampa S, et al.
Front Pharmacol. 2018 Nov 6;9:1256. doi: 10.3389/fphar.2018.01256. eCollection 2018.
Front Pharmacol. 2018.
PMID: 30459617
Free PMC article.
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Predicting With Confidence: Using Conformal Prediction in Drug Discovery.
Alvarsson J, Arvidsson McShane S, Norinder U, Spjuth O.
Alvarsson J, et al. Among authors: arvidsson mcshane s.
J Pharm Sci. 2021 Jan;110(1):42-49. doi: 10.1016/j.xphs.2020.09.055. Epub 2020 Oct 17.
J Pharm Sci. 2021.
PMID: 33075380
Free article.
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Assessing the calibration in toxicological in vitro models with conformal prediction.
Morger A, Svensson F, Arvidsson McShane S, Gauraha N, Norinder U, Spjuth O, Volkamer A.
Morger A, et al. Among authors: arvidsson mcshane s.
J Cheminform. 2021 Apr 29;13(1):35. doi: 10.1186/s13321-021-00511-5.
J Cheminform. 2021.
PMID: 33926567
Free PMC article.
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Machine Learning Strategies When Transitioning between Biological Assays.
Arvidsson McShane S, Ahlberg E, Noeske T, Spjuth O.
Arvidsson McShane S, et al.
J Chem Inf Model. 2021 Jul 26;61(7):3722-3733. doi: 10.1021/acs.jcim.1c00293. Epub 2021 Jun 21.
J Chem Inf Model. 2021.
PMID: 34152755
Free PMC article.
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Disease phenotype prediction in multiple sclerosis.
Herman S, Arvidsson McShane S, Zjukovskaja C, Khoonsari PE, Svenningsson A, Burman J, Spjuth O, Kultima K.
Herman S, et al. Among authors: arvidsson mcshane s.
iScience. 2023 May 19;26(6):106906. doi: 10.1016/j.isci.2023.106906. eCollection 2023 Jun 16.
iScience. 2023.
PMID: 37332601
Free PMC article.
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