Alvarsson J - Search Results

1

In silico prediction of volume of distribution of drugs in man using conformal prediction performs on par with animal data-based models.

Fagerholm U, Hellberg S, Alvarsson J, Arvidsson McShane S, Spjuth O. Fagerholm U, et al. Among authors: alvarsson j. Xenobiotica. 2021 Dec;51(12):1366-1371. doi: 10.1080/00498254.2021.2011471. Epub 2021 Dec 8. Xenobiotica. 2021. PMID: 34845977

2

Predicting With Confidence: Using Conformal Prediction in Drug Discovery.

Alvarsson J, Arvidsson McShane S, Norinder U, Spjuth O. Alvarsson J, et al. 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.

3

In silico predictions of the human pharmacokinetics/toxicokinetics of 65 chemicals from various classes using conformal prediction methodology.

Fagerholm U, Hellberg S, Alvarsson J, Spjuth O. Fagerholm U, et al. Among authors: alvarsson j. Xenobiotica. 2022 Feb;52(2):113-118. doi: 10.1080/00498254.2022.2049397. Epub 2022 Mar 16. Xenobiotica. 2022. PMID: 35238270

4

In Silico Predictions of the Gastrointestinal Uptake of Macrocycles in Man Using Conformal Prediction Methodology.

Fagerholm U, Hellberg S, Alvarsson J, Spjuth O. Fagerholm U, et al. Among authors: alvarsson j. J Pharm Sci. 2022 Sep;111(9):2614-2619. doi: 10.1016/j.xphs.2022.05.010. Epub 2022 May 20. J Pharm Sci. 2022. PMID: 35605685

5

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. Among authors: alvarsson j. Front Pharmacol. 2018 Nov 6;9:1256. doi: 10.3389/fphar.2018.01256. eCollection 2018. Front Pharmacol. 2018. PMID: 30459617 Free PMC article.

6

Open source drug discovery with bioclipse.

Spjuth O, Carlsson L, Alvarsson J, Georgiev V, Willighagen E, Eklund M. Spjuth O, et al. Among authors: alvarsson j. Curr Top Med Chem. 2012;12(18):1980-6. doi: 10.2174/156802612804910287. Curr Top Med Chem. 2012. PMID: 23110533

7

Ligand-based target prediction with signature fingerprints.

Alvarsson J, Eklund M, Engkvist O, Spjuth O, Carlsson L, Wikberg JE, Noeske T. Alvarsson J, et al. J Chem Inf Model. 2014 Oct 27;54(10):2647-53. doi: 10.1021/ci500361u. Epub 2014 Oct 3. J Chem Inf Model. 2014. PMID: 25230336

8

Scaling predictive modeling in drug development with cloud computing.

Moghadam BT, Alvarsson J, Holm M, Eklund M, Carlsson L, Spjuth O. Moghadam BT, et al. Among authors: alvarsson j. J Chem Inf Model. 2015 Jan 26;55(1):19-25. doi: 10.1021/ci500580y. Epub 2015 Jan 8. J Chem Inf Model. 2015. PMID: 25493610

9

Towards agile large-scale predictive modelling in drug discovery with flow-based programming design principles.

Lampa S, Alvarsson J, Spjuth O. Lampa S, et al. Among authors: alvarsson j. J Cheminform. 2016 Nov 24;8:67. doi: 10.1186/s13321-016-0179-6. eCollection 2016. J Cheminform. 2016. PMID: 27942268 Free PMC article.

10

A confidence predictor for logD using conformal regression and a support-vector machine.

Lapins M, Arvidsson S, Lampa S, Berg A, Schaal W, Alvarsson J, Spjuth O. Lapins M, et al. Among authors: alvarsson j. J Cheminform. 2018 Apr 3;10(1):17. doi: 10.1186/s13321-018-0271-1. J Cheminform. 2018. PMID: 29616425 Free PMC article.

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