Ulf Norinder
Orcid: 0000-0003-3107-331X
According to our database1,
Ulf Norinder
authored at least 42 papers
between 1990 and 2023.
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Bibliography
2023
Collaborative SAR Modeling and Prospective In Vitro Validation of Oxidative Stress Activation in Human HepG2 Cells.
J. Chem. Inf. Model., September, 2023
2022
Identifying Novel Inhibitors for Hepatic Organic Anion Transporting Polypeptides by Machine Learning-Based Virtual Screening.
J. Chem. Inf. Model., 2022
2021
ChemBioSim: Enhancing Conformal Prediction of In Vivo Toxicity by Use of Predicted Bioactivities.
J. Chem. Inf. Model., 2021
Synergy conformal prediction applied to large-scale bioactivity datasets and in federated learning.
J. Cheminformatics, 2021
Assessing the calibration in toxicological in vitro models with conformal prediction.
J. Cheminformatics, 2021
2020
J. Chem. Inf. Model., 2020
J. Chem. Inf. Model., 2020
2019
LightGBM: An Effective and Scalable Algorithm for Prediction of Chemical Toxicity-Application to the Tox21 and Mutagenicity Data Sets.
J. Chem. Inf. Model., 2019
Multitask Modeling with Confidence Using Matrix Factorization and Conformal Prediction.
J. Chem. Inf. Model., 2019
2018
Conformal Regression for Quantitative Structure-Activity Relationship Modeling - Quantifying Prediction Uncertainty.
J. Chem. Inf. Model., 2018
J. Cheminformatics, 2018
Evaluating parameters for ligand-based modeling with random forest on sparse data sets.
J. Cheminformatics, 2018
2017
Applying Mondrian Cross-Conformal Prediction To Estimate Prediction Confidence on Large Imbalanced Bioactivity Data Sets.
J. Chem. Inf. Model., July, 2017
Improving Screening Efficiency through Iterative Screening Using Docking and Conformal Prediction.
J. Chem. Inf. Model., 2017
Proceedings of the Conformal and Probabilistic Prediction and Applications, 2017
Proceedings of the Conformal and Probabilistic Prediction and Applications, 2017
Proceedings of the Conformal and Probabilistic Prediction and Applications, 2017
2015
Ann. Math. Artif. Intell., 2015
Proceedings of the 2nd IEEE/ACM International Symposium on Big Data Computing, 2015
2014
Introducing Conformal Prediction in Predictive Modeling. A Transparent and Flexible Alternative to Applicability Domain Determination.
J. Chem. Inf. Model., 2014
J. Chem. Inf. Model., 2014
Proceedings of the Artificial Intelligence Applications and Innovations, 2014
2013
Beyond the Scope of Free-Wilson Analysis: Building Interpretable QSAR Models with Machine Learning Algorithms.
J. Chem. Inf. Model., 2013
QSAR with experimental and predictive distributions: an information theoretic approach for assessing model quality.
J. Comput. Aided Mol. Des., 2013
Comparative analysis of the use of chemoinformatics-based and substructure-based descriptors for quantitative structure-activity relationship (QSAR) modeling.
Intell. Data Anal., 2013
2012
J. Chem. Inf. Model., 2012
A Pragmatic Approach Using First-Principle Methods to Address Site of Metabolism with Implications for Reactive Metabolite Formation.
J. Chem. Inf. Model., 2012
Proceedings of the Artificial Intelligence Applications and Innovations, 2012
2010
Evaluation of Quantitative Structure-Activity Relationship Modeling Strategies: Local and Global Models.
J. Chem. Inf. Model., 2010
Proceedings of the IEEE International Conference on Systems, 2010
Pre-Processing Structured Data for Standard Machine Learning Algorithms by Supervised Graph Propositionalization - A Case Study with Medicinal Chemistry Datasets.
Proceedings of the Ninth International Conference on Machine Learning and Applications, 2010
2008
Comprehensible Models for Predicting Molecular Interaction with Heart-Regulating Genes.
Proceedings of the Seventh International Conference on Machine Learning and Applications, 2008
2004
Global and Local Computational Models for Aqueous Solubility Prediction of Drug-Like Molecules.
J. Chem. Inf. Model., 2004
2003
Molecular Descriptors Influencing Melting Point and Their Role in Classification of Solid Drugs.
J. Chem. Inf. Comput. Sci., 2003
Support vector machine models in drug design: applications to drug transport processes and QSAR using simplex optimisations and variable selection.
Neurocomputing, 2003
2000
Prediction of Polar Surface Area and Drug Transport Processes Using Simple Parameters and PLS Statistics.
J. Chem. Inf. Comput. Sci., 2000
J. Comput. Aided Mol. Des., 2000
1998
1993
A PLS QSAR analysis using 3D generated aromatic descriptors of principal property type: Application to some dopamine D2 benzamide antagonists.
J. Comput. Aided Mol. Des., 1993
1991
J. Comput. Aided Mol. Des., 1991
1990
Experimental design based 3-D QSAR analysis of steroid-protein interactions: Application to human CBG complexes.
J. Comput. Aided Mol. Des., 1990