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Author Details

Ola Spjuth
Department of Pharmaceutical Biosciences, Uppsala University
2006
106
24
Timothy Clark (CM4AI)
PMIDPaper TitleJournal TitlePublished Year
36572567<i>In Silico</i> 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.Altern Lab Anim2023
37490493Evaluating the utility of brightfield image data for mechanism of action prediction.PLoS Comput Biol2023
37905146Insights into Drug Cardiotoxicity from Biological and Chemical Data: The First Public Classifiers for FDA DICTrank.bioRxiv2023
37842337ELIXIR and Toxicology: a community in development.F1000Res2023
37673885Author Correction: A method for Boolean analysis of protein interactions at a molecular level.Nat Commun2023
37456981Development of new approach methods for the identification and characterization of endocrine metabolic disruptors-a PARC project.Front Toxicol2023
37268960Merging bioactivity predictions from cell morphology and chemical fingerprint models using similarity to training data.J Cheminform2023
37332601Disease phenotype prediction in multiple sclerosis.iScience2023
34693668An Open-Source Modular Framework for Automated Pipetting and Imaging Applications.Adv Biol (Weinh)2022
35841114Predicting protein network topology clusters from chemical structure using deep learning.J Cheminform2022
35793746The Impact of Reference Data Selection for the Prediction Accuracy of Intrinsic Hepatic Metabolic Clearance.J Pharm Sci2022
35605685In Silico Predictions of the Gastrointestinal Uptake of Macrocycles in Man Using Conformal Prediction Methodology.J Pharm Sci2022
35860345Migrating to Long-Read Sequencing for Clinical Routine <i>BCR-ABL1</i> TKI Resistance Mutation Screening.Cancer Inform2022
35390365Morphological profiling of environmental chemicals enables efficient and untargeted exploration of combination effects.Sci Total Environ2022
36522311Estimating diagnostic uncertainty in artificial intelligence assisted pathology using conformal prediction.Nat Commun2022
36075919From biomedical cloud platforms to microservices: next steps in FAIR data and analysis.Sci Data2022
35999457Integrating cell morphology with gene expression and chemical structure to aid mitochondrial toxicity detection.Commun Biol2022
35963857A method for Boolean analysis of protein interactions at a molecular level.Nat Commun2022
35883105SimVec: predicting polypharmacy side effects for new drugs.J Cheminform2022
35238270<i>In silico</i> predictions of the human pharmacokinetics/toxicokinetics of 65 chemicals from various classes using conformal prediction methodology.Xenobiotica2022
32750907Deep Learning With Conformal Prediction for Hierarchical Analysis of Large-Scale Whole-Slide Tissue Images.IEEE J Biomed Health Inform2021
33739401Rapid development of cloud-native intelligent data pipelines for scientific data streams using the HASTE Toolkit.Gigascience2021
33926567Assessing the calibration in toxicological in vitro models with conformal prediction.J Cheminform2021
33925103Advances in Predictions of Oral Bioavailability of Candidate Drugs in Man with New Machine Learning Methodology.Molecules2021
34639124Integrating Statistical and Machine-Learning Approach for Meta-Analysis of Bisphenol A-Exposure Datasets Reveals Effects on Mouse Gene Expression within Pathways of Apoptosis and Cell Survival.Int J Mol Sci2021
34600569Synergy conformal prediction applied to large-scale bioactivity datasets and in federated learning.J Cheminform2021
34845977<i>In silico</i> prediction of volume of distribution of drugs in man using conformal prediction performs on par with animal data-based models.Xenobiotica2021
34346291Comparison between lab variability and <i>in silico</i> prediction errors for the unbound fraction of drugs in human plasma.Xenobiotica2021
34152755Machine Learning Strategies When Transitioning between Biological Assays.J Chem Inf Model2021
34057379The machine learning life cycle and the cloud: implications for drug discovery.Expert Opin Drug Discov2021
33949890Deep-learning models for lipid nanoparticle-based drug delivery.Nanomedicine (Lond)2021
34334126A phenomics approach for antiviral drug discovery.BMC Biol2021
33974001scConnect: a method for exploratory analysis of cell-cell communication based on single-cell RNA-sequencing data.Bioinformatics2021
33075380Predicting With Confidence: Using Conformal Prediction in Drug Discovery.J Pharm Sci2021
33271569Metabolomics: The Stethoscope for the Twenty-First Century.Med Princ Pract2021
32369166MaRe: Processing Big Data with application containers on Apache Spark.Gigascience2020
33430992Towards reproducible computational drug discovery.J Cheminform2020
33231446Correction to "Using Predicted Bioactivity Profiles to Improve Predictive Modeling".J Chem Inf Model2020
32374618Using Predicted Bioactivity Profiles to Improve Predictive Modeling.J Chem Inf Model2020
30641024Transfer Learning with Deep Convolutional Neural Networks for Classifying Cellular Morphological Changes.SLAS Discov2019
33816885On-demand virtual research environments using microservices.PeerJ Comput Sci2019
30101309Container-based bioinformatics with Pachyderm.Bioinformatics2019
30858393Alterations in the tyrosine and phenylalanine pathways revealed by biochemical profiling in cerebrospinal fluid of Huntington's disease subjects.Sci Rep2019
31029061SciPipe: A workflow library for agile development of complex and dynamic bioinformatics pipelines.Gigascience2019
30851093Interoperable and scalable data analysis with microservices: applications in metabolomics.Bioinformatics2019
30678351Biochemical Differences in Cerebrospinal Fluid between Secondary Progressive and Relapsing⁻Remitting Multiple Sclerosis.Cells2019
30565841Deep Learning in Image Cytometry: A Review.Cytometry A2019
30535405PhenoMeNal: processing and analysis of metabolomics data in the cloud.Gigascience2019
29659792Tracking the NGS revolution: managing life science research on shared high-performance computing clusters.Gigascience2018
30191348Novel applications of Machine Learning in cheminformatics.J Cheminform2018
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Collaborators

Egon L Willighagen
Maastricht University
Co-authored papers 18
Christoph Steinbeck
Institute for Inorganic and Analytical Chemistry, Friedrich Schiller University Jena
Co-authored papers 8
Philippe Rocca-Serra
University of Oxford
Co-authored papers 4
Reza M Salek
Co-authored papers 4
Carolina W??hlby
Uppsala University
Co-authored papers 4
Chris T Evelo
Maastricht University
Co-authored papers 4
Rajarshi Guha
Vertex Pharmaceuticals
Co-authored papers 4
Janna Hastings
Institute for Implementation Science in Health Care, University of Zurich
Co-authored papers 4
Steffen Neumann
Leibniz Institute for Plant Biochemistry
Co-authored papers 3
Kenneth Haug
European Bioinformatics Institute (EMBL-EBI)
Co-authored papers 3
Namrata Kale
European Bioinformatics Institute (EMBL-EBI)
Co-authored papers 3
Susanna-Assunta Sansone
Oxford e-Research Centre, University of Oxford
Co-authored papers 3
Daniel Schober
Institute of Forensic Medicine, University of Bern
Co-authored papers 3
Kimmo Kartasalo
Karolinska Institutet
Co-authored papers 2
Dominic Clark
European Bioinformatics Institute
Co-authored papers 2
Adam Ameur
Co-authored papers 2
S A Matis
Co-authored papers 2
Scott Boyer
Swedish Toxicology Sciences Research Center, Karolinska Institutet
Co-authored papers 2
Luca Toldo
Co-authored papers 2
Claire O'Donovan
European Bioinformatics Institute
Co-authored papers 2
Alejandra Gonzalez-Beltran
Oxford e-Research Centre, University of Oxford
Co-authored papers 2
Sven Bergmann
University of Lausanne
Co-authored papers 2
Ian Dix
Institute of Cell and Molecular Biology, University of Edinburgh
Co-authored papers 2
Damian J Matuszewski
Uppsala University
Co-authored papers 1
Nancy L Pedersen
Co-authored papers 1
Bin Chen
Jiangsu University
Co-authored papers 1
Shantanu Singh
Co-authored papers 1
Alasdair J G Gray
Heriot-Watt University
Co-authored papers 1
Rob H Stierum
Co-authored papers 1
Ulrich L G??nther
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Release 1.2