Senaste publikationer
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Merging bioactivity predictions from cell morphology and chemical fingerprint models using similarity to training data
Ingår i Journal of Cheminformatics, 2023.
DOI för Merging bioactivity predictions from cell morphology and chemical fingerprint models using similarity to training data Ladda ner fulltext (pdf) av Merging bioactivity predictions from cell morphology and chemical fingerprint models using similarity to training data
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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
Ingår i ATLA (Alternatives to Laboratory Animals), s. 39-54, 2023.
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Development of new approach methods for the identification and characterization of endocrine metabolic disruptors: a PARC project
Ingår i FRONTIERS IN TOXICOLOGY, 2023.
DOI för Development of new approach methods for the identification and characterization of endocrine metabolic disruptors: a PARC project Ladda ner fulltext (pdf) av Development of new approach methods for the identification and characterization of endocrine metabolic disruptors: a PARC project
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Evaluating the utility of brightfield image data for mechanism of action prediction
Ingår i PloS Computational Biology, 2023.
DOI för Evaluating the utility of brightfield image data for mechanism of action prediction Ladda ner fulltext (pdf) av Evaluating the utility of brightfield image data for mechanism of action prediction
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An Open-Source Modular Framework for Automated Pipetting and Imaging Applications
Ingår i Advanced biology, 2022.
DOI för An Open-Source Modular Framework for Automated Pipetting and Imaging Applications Ladda ner fulltext (pdf) av An Open-Source Modular Framework for Automated Pipetting and Imaging Applications
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Predicting protein network topology clusters from chemical structure using deep learning
Ingår i Journal of Cheminformatics, 2022.
DOI för Predicting protein network topology clusters from chemical structure using deep learning Ladda ner fulltext (pdf) av Predicting protein network topology clusters from chemical structure using deep learning
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Integrating cell morphology with gene expression and chemical structure to aid mitochondrial toxicity detection
Ingår i Communications Biology, 2022.
DOI för Integrating cell morphology with gene expression and chemical structure to aid mitochondrial toxicity detection Ladda ner fulltext (pdf) av Integrating cell morphology with gene expression and chemical structure to aid mitochondrial toxicity detection
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The Impact of Reference Data Selection for the Prediction Accuracy of Intrinsic Hepatic Metabolic Clearance
Ingår i Journal of Pharmaceutical Sciences, s. 2645-2649, 2022.
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In Silico Predictions of the Gastrointestinal Uptake of Macrocycles in Man Using Conformal Prediction Methodology
Ingår i Journal of Pharmaceutical Sciences, s. 2614-2619, 2022.
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In silico predictions of the human pharmacokinetics/toxicokinetics of 65 chemicals from various classes using conformal prediction methodology
Ingår i Xenobiotica, s. 113-118, 2022.
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Morphological profiling of environmental chemicals enables efficient and untargeted exploration of combination effects
Ingår i Science of the Total Environment, 2022.
DOI för Morphological profiling of environmental chemicals enables efficient and untargeted exploration of combination effects Ladda ner fulltext (pdf) av Morphological profiling of environmental chemicals enables efficient and untargeted exploration of combination effects
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From biomedical cloud platforms to microservices: next steps in FAIR data and analysis
Ingår i Scientific Data, 2022.
DOI för From biomedical cloud platforms to microservices: next steps in FAIR data and analysis Ladda ner fulltext (pdf) av From biomedical cloud platforms to microservices: next steps in FAIR data and analysis
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Migrating to Long-Read Sequencing for Clinical Routine BCR-ABL1 TKI Resistance Mutation Screening
Ingår i Cancer Informatics, s. 1-8, 2022.
DOI för Migrating to Long-Read Sequencing for Clinical Routine BCR-ABL1 TKI Resistance Mutation Screening Ladda ner fulltext (pdf) av Migrating to Long-Read Sequencing for Clinical Routine BCR-ABL1 TKI Resistance Mutation Screening
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Estimating diagnostic uncertainty in artificial intelligence assisted pathology using conformal prediction
Ingår i Nature Communications, 2022.
DOI för Estimating diagnostic uncertainty in artificial intelligence assisted pathology using conformal prediction Ladda ner fulltext (pdf) av Estimating diagnostic uncertainty in artificial intelligence assisted pathology using conformal prediction
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scConnect: a method for exploratory analysis of cell–cell communication based on single-cell RNA-sequencing data
Ingår i Bioinformatics, s. 3501-3508, 2021.
DOI för scConnect: a method for exploratory analysis of cell–cell communication based on single-cell RNA-sequencing data Ladda ner fulltext (pdf) av scConnect: a method for exploratory analysis of cell–cell communication based on single-cell RNA-sequencing data
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Comparison between lab variability and in silico prediction errors for the unbound fraction of drugs in human plasma
Ingår i Xenobiotica, s. 1095-1100, 2021.
DOI för Comparison between lab variability and in silico prediction errors for the unbound fraction of drugs in human plasma Ladda ner fulltext (pdf) av Comparison between lab variability and in silico prediction errors for the unbound fraction of drugs in human plasma
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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
Ingår i Xenobiotica, s. 1366-1371, 2021.
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The machine learning life cycle and the cloud: implications for drug discovery.
Ingår i Expert Opinion on Drug Discovery, s. 1071-1079, 2021.
DOI för The machine learning life cycle and the cloud: implications for drug discovery.
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Integrating 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
Ingår i International Journal of Molecular Sciences, 2021.
DOI för Integrating 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 Ladda ner fulltext (pdf) av Integrating 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
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Assessing the calibration in toxicological in vitro models with conformal prediction
Ingår i Journal of Cheminformatics, 2021.
DOI för Assessing the calibration in toxicological in vitro models with conformal prediction Ladda ner fulltext (pdf) av Assessing the calibration in toxicological in vitro models with conformal prediction
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Synergy conformal prediction applied to large-scale bioactivity datasets and in federated learning
Ingår i Journal of Cheminformatics, 2021.
DOI för Synergy conformal prediction applied to large-scale bioactivity datasets and in federated learning Ladda ner fulltext (pdf) av Synergy conformal prediction applied to large-scale bioactivity datasets and in federated learning
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Metabolomics: The Stethoscope for the Twenty-First Century
Ingår i Medical principles and practice, s. 301-310, 2021.
DOI för Metabolomics: The Stethoscope for the Twenty-First Century Ladda ner fulltext (pdf) av Metabolomics: The Stethoscope for the Twenty-First Century
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Synergy Conformal Prediction
Ingår i Proceedings of Machine Learning Research, s. 91-119, 2021.
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Deep learning and conformal prediction for hierarchical analysis of large-scale whole-slide tissue images
Ingår i IEEE journal of biomedical and health informatics, s. 371-380, 2021.
DOI för Deep learning and conformal prediction for hierarchical analysis of large-scale whole-slide tissue images Ladda ner fulltext (pdf) av Deep learning and conformal prediction for hierarchical analysis of large-scale whole-slide tissue images
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Rapid development of cloud-native intelligent data pipelines for scientific data streams using the HASTE Toolkit
Ingår i GigaScience, s. 1-14, 2021.
DOI för Rapid development of cloud-native intelligent data pipelines for scientific data streams using the HASTE Toolkit Ladda ner fulltext (pdf) av Rapid development of cloud-native intelligent data pipelines for scientific data streams using the HASTE Toolkit
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ELIXIR and Toxicology: a community in development
Ingår i F1000 Research, s. 1129-1129, 2021.
DOI för ELIXIR and Toxicology: a community in development Ladda ner fulltext (pdf) av ELIXIR and Toxicology: a community in development
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Deep-learning models for lipid nanoparticle-based drug delivery
Ingår i Nanomedicine, s. 1097-1110, 2021.
DOI för Deep-learning models for lipid nanoparticle-based drug delivery
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Machine Learning Strategies When Transitioning between Biological Assays
Ingår i Journal of Chemical Information and Modeling, s. 3722-3733, 2021.
DOI för Machine Learning Strategies When Transitioning between Biological Assays Ladda ner fulltext (pdf) av Machine Learning Strategies When Transitioning between Biological Assays
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Advances in Predictions of Oral Bioavailability of Candidate Drugs in Man with New Machine Learning Methodology
Ingår i Molecules, 2021.
DOI för Advances in Predictions of Oral Bioavailability of Candidate Drugs in Man with New Machine Learning Methodology Ladda ner fulltext (pdf) av Advances in Predictions of Oral Bioavailability of Candidate Drugs in Man with New Machine Learning Methodology
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Predicting target profiles with confidence as a service using docking scores
Ingår i Journal of Cheminformatics, 2020.
DOI för Predicting target profiles with confidence as a service using docking scores Ladda ner fulltext (pdf) av Predicting target profiles with confidence as a service using docking scores
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Using Predicted Bioactivity Profiles to Improve Predictive Modeling
Ingår i Journal of Chemical Information and Modeling, s. 2830-2837, 2020.
DOI för Using Predicted Bioactivity Profiles to Improve Predictive Modeling
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Container-based bioinformatics with Pachyderm
Ingår i Bioinformatics, s. 839-846, 2019.
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SciPipe - Turning Scientific Workflows into Computer Programs
Ingår i Computing in science & engineering (Print), s. 109-113, 2019.
DOI för SciPipe - Turning Scientific Workflows into Computer Programs Ladda ner fulltext (pdf) av SciPipe - Turning Scientific Workflows into Computer Programs
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On-demand virtual research environments using microservices
Ingår i PeerJ Computer Science, 2019.
DOI för On-demand virtual research environments using microservices
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Biochemical Differences in Cerebrospinal Fluid between Secondary Progressive and Relapsing-Remitting Multiple Sclerosis
Ingår i Cells, 2019.
DOI för Biochemical Differences in Cerebrospinal Fluid between Secondary Progressive and Relapsing-Remitting Multiple Sclerosis Ladda ner fulltext (pdf) av Biochemical Differences in Cerebrospinal Fluid between Secondary Progressive and Relapsing-Remitting Multiple Sclerosis
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Interoperable and scalable data analysis with microservices: Applications in metabolomics
Ingår i Bioinformatics, s. 3752-3760, 2019.
DOI för Interoperable and scalable data analysis with microservices: Applications in metabolomics Ladda ner fulltext (pdf) av Interoperable and scalable data analysis with microservices: Applications in metabolomics
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Alterations in the tyrosine and phenylalanine pathways revealed by biochemical profiling in cerebrospinal fluid of Huntington's disease subjects
Ingår i Scientific Reports, 2019.
DOI för Alterations in the tyrosine and phenylalanine pathways revealed by biochemical profiling in cerebrospinal fluid of Huntington's disease subjects Ladda ner fulltext (pdf) av Alterations in the tyrosine and phenylalanine pathways revealed by biochemical profiling in cerebrospinal fluid of Huntington's disease subjects
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SciPipe: A workflow library for agile development of complex and dynamic bioinformatics pipelines
Ingår i GigaScience, 2019.
DOI för SciPipe: A workflow library for agile development of complex and dynamic bioinformatics pipelines Ladda ner fulltext (pdf) av SciPipe: A workflow library for agile development of complex and dynamic bioinformatics pipelines
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Transfer Learning with Deep Convolutional Neural Networks for Classifying Cellular Morphological Changes
Ingår i SLAS discovery : advancing life sciences R & D, s. 466-475, 2019.
DOI för Transfer Learning with Deep Convolutional Neural Networks for Classifying Cellular Morphological Changes Ladda ner fulltext (pdf) av Transfer Learning with Deep Convolutional Neural Networks for Classifying Cellular Morphological Changes
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Conformal Regression for Quantitative Structure-Activity Relationship Modeling-Quantifying Prediction Uncertainty
Ingår i Journal of Chemical Information and Modeling, s. 1132-1140, 2018.
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Exploring the usefulness of morphological profiling of cells to study toxicity mechanisms
Ingår i Toxicology Letters, s. S203-S203, 2018.
DOI för Exploring the usefulness of morphological profiling of cells to study toxicity mechanisms
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OpenRiskNet, an open e-infrastructure to support data sharing, knowledge integration and in silico analysis and modelling in risk assessment
Ingår i Toxicology Letters, s. S104-S104, 2018.