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Articles from other publishers (20)
Wouter Heyndrickx, Adam Arany, Jaak Simm, Anastasia Pentina, Noé Sturm, Lina Humbeck, Lewis Mervin, Adam Zalewski, Martijn Oldenhof, Peter Schmidtke, Lukas Friedrich, Regis Loeb, Arina Afanasyeva, Ansgar Schuffenhauer, Yves Moreau & Hugo Ceulemans. (2023) Conformal efficiency as a metric for comparative model assessment befitting federated learning. Artificial Intelligence in the Life Sciences 3, pages 100070.
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Maria Sapounidou, Ulf Norinder & Patrik L. Andersson. (2022) Predicting Endocrine Disruption Using Conformal Prediction – A Prioritization Strategy to Identify Hazardous Chemicals with Confidence. Chemical Research in Toxicology 36:1, pages 53-65.
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Urban Fagerholm, Sven Hellberg, Jonathan Alvarsson & Ola Spjuth. (2022)
In Silico
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Urban Fagerholm, Sven Hellberg, Jonathan Alvarsson & Ola Spjuth. (2022) In Silico Predictions of the Gastrointestinal Uptake of Macrocycles in Man Using Conformal Prediction Methodology. Journal of Pharmaceutical Sciences 111:9, pages 2614-2619.
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Edurne Martinez del Castillo, Christian S. Zang, Allan Buras, Andrew Hacket-Pain, Jan Esper, Roberto Serrano-Notivoli, Claudia Hartl, Robert Weigel, Stefan Klesse, Victor Resco de Dios, Tobias Scharnweber, Isabel Dorado-Liñán, Marieke van der Maaten-Theunissen, Ernst van der Maaten, Alistair Jump, Sjepan Mikac, Bat-Enerel Banzragch, Wolfgang Beck, Liam Cavin, Hugues Claessens, Vojtěch Čada, Katarina Čufar, Choimaa Dulamsuren, Jozica Gričar, Eustaquio Gil-Pelegrín, Pavel Janda, Marko Kazimirovic, Juergen Kreyling, Nicolas Latte, Christoph Leuschner, Luis Alberto Longares, Annette Menzel, Maks Merela, Renzo Motta, Lena Muffler, Paola Nola, Any Mary Petritan, Ion Catalin Petritan, Peter Prislan, Álvaro Rubio-Cuadrado, Miloš Rydval, Branko Stajić, Miroslav Svoboda, Elvin Toromani, Volodymyr Trotsiuk, Martin Wilmking, Tzvetan Zlatanov & Martin de Luis. (2022) Climate-change-driven growth decline of European beech forests. Communications Biology 5:1.
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Saskia Klutzny, Marja Kornhuber, Andrea Morger, Gilbert Schönfelder, Andrea Volkamer, Michael Oelgeschläger & Sebastian Dunst. (2022) Quantitative high-throughput phenotypic screening for environmental estrogens using the E-Morph Screening Assay in combination with in silico predictions. Environment International 158, pages 106947.
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Anke Wilm, Marina Garcia de Lomana, Conrad Stork, Neann Mathai, Steffen Hirte, Ulf Norinder, Jochen Kühnl & Johannes Kirchmair. (2021) Predicting the Skin Sensitization Potential of Small Molecules with Machine Learning Models Trained on Biologically Meaningful Descriptors. Pharmaceuticals 14:8, pages 790.
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Alfonso T. García-Sosa & Uko Maran. (2021) Combined Naïve Bayesian, Chemical Fingerprints and Molecular Docking Classifiers to Model and Predict Androgen Receptor Binding Data for Environmentally- and Health-Sensitive Substances. International Journal of Molecular Sciences 22:13, pages 6695.
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Anke Wilm, Ulf Norinder, M. Isabel Agea, Christina de Bruyn Kops, Conrad Stork, Jochen Kühnl & Johannes Kirchmair. (2020) Skin Doctor CP: Conformal Prediction of the Skin Sensitization Potential of Small Organic Molecules. Chemical Research in Toxicology 34:2, pages 330-344.
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Andrea Morger, Miriam Mathea, Janosch H. Achenbach, Antje Wolf, Roland Buesen, Klaus-Juergen Schleifer, Robert Landsiedel & Andrea Volkamer. (2020) KnowTox: pipeline and case study for confident prediction of potential toxic effects of compounds in early phases of development. Journal of Cheminformatics 12:1.
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Jennifer Hemmerich & Gerhard F. Ecker. (2020) In silico toxicology: From structure–activity relationships towards deep learning and adverse outcome pathways. WIREs Computational Molecular Science 10:4.
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Kimberley M. Zorn, Thomas R. Lane, Daniel P. Russo, Alex M. Clark, Vadim Makarov & Sean Ekins. (2019) Multiple Machine Learning Comparisons of HIV Cell-based and Reverse Transcriptase Data Sets. Molecular Pharmaceutics 16:4, pages 1620-1632.
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Edurne Martínez del Castillo, Luis Alberto Longares, Roberto Serrano-Notivoli & Martin de Luis. (2019) Modeling tree-growth: Assessing climate suitability of temperate forests growing in Moncayo Natural Park (Spain). Forest Ecology and Management 435, pages 128-137.
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Thierry Hanser, Chris Barber, Sébastien Guesné, Jean François Marchaland & Stéphane Werner. 2019. Advances in Computational Toxicology. Advances in Computational Toxicology
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Maris Lapins, Staffan Arvidsson, Samuel Lampa, Arvid Berg, Wesley Schaal, Jonathan Alvarsson & Ola Spjuth. (2018) A confidence predictor for logD using conformal regression and a support-vector machine. Journal of Cheminformatics 10:1.
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Samuel Lampa, Jonathan Alvarsson, Staffan Arvidsson Mc Shane, Arvid Berg, Ernst Ahlberg & Ola Spjuth. (2018) Predicting Off-Target Binding Profiles With Confidence Using Conformal Prediction. Frontiers in Pharmacology 9.
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Ulf Norinder, Glenn Myatt & Ernst Ahlberg. (2018) Predicting Aromatic Amine Mutagenicity with Confidence: A Case Study Using Conformal Prediction. Biomolecules 8:3, pages 85.
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Fredrik Svensson, Natalia AnicetoUlf Norinder, Isidro Cortes-CirianoOla Spjuth, Lars CarlssonAndreas Bender. (2018) Conformal Regression for Quantitative Structure–Activity Relationship Modeling—Quantifying Prediction Uncertainty. Journal of Chemical Information and Modeling 58:5, pages 1132-1140.
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Ulf Norinder & Scott Boyer. (2017) Binary classification of imbalanced datasets using conformal prediction. Journal of Molecular Graphics and Modelling 72, pages 256-265.
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