Scientific publications
In silico predictions of the hepatic metabolic clearance in humans for 10 drugs with highly variable in vitro pharmacokinetics
Fagerholm U. In silico predictions of the hepatic metabolic clearance in humans for 10 drugs with highly variable in vitro pharmacokinetics. bioRxiv, April 2023.https://www.biorxiv.org/content/10.1101/2023.04.01.535222v1
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Application of the ANDROMEDA software for prediction of the human pharmacokinetics of modern anticancer drugs
Fagerholm U, Hellberg S, Alvarsson J, Spjuth O. bioRxiv, March 2023.https://www.biorxiv.org/content/10.1101/2023.03.18.533259v1
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Prediction of the human pharmacokinetics of 30 modern antibiotics using the ANDROMEDA software
Fagerholm U, Hellberg S, Alvarsson J, Spjuth O. bioRxiv, March 2023.https://www.biorxiv.org/content/10.1101/2023.03.28.534601v1
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In silico prediction of human clinical pharmacokinetics with ANDROMEDA by Prosilico: Predictions for an established benchmarking data set, a modern small drug data set, and a comparison with laboratory methods
Fagerholm, Hellberg, Alvarsson, Spjuth. Altern Lab Anim. 51:39-54, 2023. https://journals.sagepub.com/doi/abs/10.1177/02611929221148447?journalCode=atla
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Comparing in silico and in vitro methods for classification of BCS II and CYP3A4 and MDR-1 substrate specificity
Fagerholm. BioRxiv December 15, 2022.https://www.biorxiv.org/content/10.1101/2022.12.13.520246v1
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Predicting the influence of fat food intake on the absorption and systemic exposure of modern small drugs using ANDROMEDA by Prosilico software
Fagerholm, Hellberg, Alvarsson, Spjuth. BioRxiv December 8, 2022.https://www.biorxiv.org/content/10.1101/2022.12.05.519072v1
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Evaluation of the reliability and applicability of human unbound brain-to-plasma concentration ratios
Fagerholm. BioRxiv November 21, 2022.https://www.biorxiv.org/content/10.1101/2022.11.14.516429v1
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Validation of predicted conformal intervals for prediction of human clinical pharmacokinetics
Fagerholm, Alvarsson, Hellberg, Spjuth. BioRxiv November 14, 2022. https://www.biorxiv.org/content/10.1101/2022.11.10.515917v1
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ANDROMEDA by Prosilico software successfully predicts human clinical pharmacokinetics of 70 drugs out of reach for in vitro methods
Fagerholm, Hellberg, Alvarsson, Spjuth. BioRxiv October 7, 2022. https://www.biorxiv.org/content/10.1101/2022.10.05.511015v1
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Prediction and Classification of the Uptake and Disposition of Antidepressants and New CNS-Active Drugs in the Human Brain using the ANDROMEDA by Prosilico Software and Brainavailability-Matrix
Fagerholm, Hellberg, Alvarsson, Spjuth. BioRxiv September 30, 2022. https://www.biorxiv.org/content/10.1101/2022.09.28.509936v1
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An analysis of laboratory variability and thresholds for human in vitro ADME/PK methods
Fagerholm. BioRxiv September 28, 2022. https://www.biorxiv.org/content/10.1101/2022.09.27.509731v1
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In vitro to in vivo pharmacokinetic translation guidance
Fagerholm. BioRxiv September 28, 2022. https://www.biorxiv.org/content/10.1101/2022.09.26.509470v1
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Investigation of Molecular Weights and Pharmacokinetic Characteristics of Older and Modern Small Drugs
Fagerholm. BioRxiv September 27, 2022. https://www.biorxiv.org/content/10.1101/2022.09.21.508888v1
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Prediction of Biopharmaceutical Characteristics of PROTACs using the ANDROMEDA by Prosilico Software
Fagerholm, Hellberg, Alvarsson and Spjuth. BioRxiv September 24, 2022. https://www.biorxiv.org/content/10.1101/2022.09.22.509053v1
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Using the ANDROMEDA by Prosilico software for prediction of the human pharmacokinetics of 4 compounds of natural origin – colistin, curucumin, UCN-01 and voclosporin
Fagerholm, Hellberg, Alvarsson and Spjuth. Biorxiv August 17, 2022. https://www.biorxiv.org/content/10.1101/2022.08.17.504228v1
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In silico predictions of the gastrointestinal uptake of macrocycles in man using conformal prediction methodology
Fagerholm, Hellberg, Alvarsson and Spjuth. J Pharm Sci. May 2022. https://pubmed.ncbi.nlm.nih.gov/35605685/
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The impact of reference data selection for the prediction accuracy of intrinsic hepatic metabolic clearance
Fagerholm, Spjuth and Hellberg. J Pharm Sci. July 2022. https://pubmed.ncbi.nlm.nih.gov/35793746/
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In silico predictions of the human pharmacokinetics/toxicokinetics of 65 chemicals from various classes using conformal prediction methodology
Fagerholm, Hellberg, Alvarsson and Spjuth. Xenobiot. 51:1366-1371, 2022. https://www.tandfonline.com/doi/abs/10.1080/00498254.2022.2049397
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Comparison between lab variability and in silico prediction errors for the unbound fraction of drugs in human plasma
Fagerholm, Spjuth & Hellberg. Xenobiot. 51:1095-1100, 2021. https://www.tandfonline.com/doi/full/10.1080/00498254.2021.1964044
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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
Fagerholm, Hellberg, Alvarsson, Arvidsson McShane and Spjuth. Xenobiot. 51:1366-1371, 2021. https://www.tandfonline.com/doi/full/10.1080/00498254.2021.2011471
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Advances in predictions of oral bioavailability of candidate drugs in man with new machine learning methodology
Fagerholm, Hellberg and Spjuth. Molecules 26:2572, 2021. https://pubmed.ncbi.nlm.nih.gov/33925103/
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Brist på riktlinjer hindrar alternativa metoder att slå igenom
Fagerholm, Hellberg, Alsenius och Cederlöf. Debattartikel i tidningen Curie 210831. https://www.tidningencurie.se/debatt/brist-pa-riktlinjer-hindrar-alternativa-metoder-att-sla-igenom/
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Authority publications about reduction of animal testing
Netherlands initiative to reduce animal testing https://english.ncadierproevenbeleid.nl/latest/news/16/12/15/ncad-opinion-transition-to-non-animal-research FDAs initiative to reduce animal testing https://www.fdanews.com/articles/182663-congress-pushes-for-in-silico-trials-modeling
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