Ulf Norinder

Publication Activity (10 Years)

Years Active: 1990-2024
Publications (10 Years): 19

Top Topics

Conformal Prediction

Top Venues

J. Chem. Inf. Model.

J. Cheminformatics

Ann. Math. Artif. Intell.

Publications

Staffan Arvidsson McShane, Ulf Norinder, Jonathan Alvarsson, Ernst Ahlberg, Lars Carlsson, Ola Spjuth
CPSign: conformal prediction for cheminformatics modeling. J. Cheminformatics 16 (1) (2024)
Olivier J. M. Béquignon, Jose C. Gómez-Tamayo, Eelke B. Lenselink, Steven Wink, Steven Hiemstra, Chi Chung Lam, Domenico Gadaleta, Alessandra Roncaglioni, Ulf Norinder, Bob van de Water, Manuel Pastor, Gerard J. P. van Westen
Collaborative SAR Modeling and Prospective In Vitro Validation of Oxidative Stress Activation in Human HepG2 Cells. J. Chem. Inf. Model. 63 (17) (2023)
Alzbeta Türková, Brandon J. Bongers, Ulf Norinder, Orsolya Ungvári, Virág Székely, Andrey Tarnovskiy, Gergely Szakács, Csilla Özvegy-Laczka, Gerard J. P. van Westen, Barbara Zdrazil
Identifying Novel Inhibitors for Hepatic Organic Anion Transporting Polypeptides by Machine Learning-Based Virtual Screening. J. Chem. Inf. Model. 62 (24) (2022)
Andrea Morger, Fredrik Svensson, Staffan Arvidsson McShane, Niharika Gauraha, Ulf Norinder, Ola Spjuth, Andrea Volkamer
Assessing the calibration in toxicological in vitro models with conformal prediction. J. Cheminformatics 13 (1) (2021)
Ulf Norinder, Ola Spjuth, Fredrik Svensson
Synergy conformal prediction applied to large-scale bioactivity datasets and in federated learning. J. Cheminformatics 13 (1) (2021)
Marina Garcia de Lomana, Andrea Morger, Ulf Norinder, Roland Buesen, Robert Landsiedel, Andrea Volkamer, Johannes Kirchmair, Miriam Mathea
ChemBioSim: Enhancing Conformal Prediction of In Vivo Toxicity by Use of Predicted Bioactivities. J. Chem. Inf. Model. 61 (7) (2021)
Jin Zhang, Ulf Norinder, Fredrik Svensson
Deep Learning-Based Conformal Prediction of Toxicity. J. Chem. Inf. Model. 61 (6) (2021)
Ulf Norinder, Ola Spjuth, Fredrik Svensson
Using Predicted Bioactivity Profiles to Improve Predictive Modeling. J. Chem. Inf. Model. 60 (6) (2020)
Ulf Norinder, Ola Spjuth, Fredrik Svensson
Correction to "Using Predicted Bioactivity Profiles to Improve Predictive Modeling". J. Chem. Inf. Model. 60 (12) (2020)
Jin Zhang, Daniel Mucs, Ulf Norinder, Fredrik Svensson
LightGBM: An Effective and Scalable Algorithm for Prediction of Chemical Toxicity-Application to the Tox21 and Mutagenicity Data Sets. J. Chem. Inf. Model. 59 (10) (2019)
Ulf Norinder, Fredrik Svensson
Multitask Modeling with Confidence Using Matrix Factorization and Conformal Prediction. J. Chem. Inf. Model. 59 (4) (2019)
Alexander Kensert, Jonathan Alvarsson, Ulf Norinder, Ola Spjuth
Evaluating parameters for ligand-based modeling with random forest on sparse data sets. J. Cheminformatics 10 (1) (2018)
Fredrik Svensson, Avid M. Afzal, Ulf Norinder, Andreas Bender
Maximizing gain in high-throughput screening using conformal prediction. J. Cheminformatics 10 (1) (2018)
Fredrik Svensson, Natália Aniceto, Ulf Norinder, Isidro Cortes-Ciriano, Ola Spjuth, Lars Carlsson, Andreas Bender
Conformal Regression for Quantitative Structure-Activity Relationship Modeling - Quantifying Prediction Uncertainty. J. Chem. Inf. Model. 58 (5) (2018)
Fredrik Svensson, Ulf Norinder, Andreas Bender
Improving Screening Efficiency through Iterative Screening Using Docking and Conformal Prediction. J. Chem. Inf. Model. 57 (3) (2017)
Ernst Ahlberg, Susanne Winiwarter, Henrik Boström, Henrik Linusson, Tuve Löfström, Ulf Norinder, Ulf Johansson, Ola Engkvist, Oscar Hammar, Claus Bendtsen, Lars Carlsson
Using Conformal Prediction to Prioritize Compound Synthesis in Drug Discovery. COPA (2017)
Jiangming Sun, Lars Carlsson, Ernst Ahlberg, Ulf Norinder, Ola Engkvist, Hongming Chen
Applying Mondrian Cross-Conformal Prediction To Estimate Prediction Confidence on Large Imbalanced Bioactivity Data Sets. J. Chem. Inf. Model. 57 (7) (2017)
Ulf Norinder, Fredrik Svensson, Avid M. Afzal, Andreas Bender
Maximizing Gain in HTS Screening Using Conformal Prediction. COPA (2017)
Henrik Linusson, Ulf Norinder, Henrik Boström, Ulf Johansson, Tuve Löfström
On the Calibration of Aggregated Conformal Predictors. COPA (2017)
Martin Eklund, Ulf Norinder, Scott Boyer, Lars Carlsson
The application of conformal prediction to the drug discovery process. Ann. Math. Artif. Intell. 74 (1-2) (2015)
Marco Capuccini, Lars Carlsson, Ulf Norinder, Ola Spjuth
Conformal Prediction in Spark: Large-Scale Machine Learning with Confidence. BDC (2015)
Lars Carlsson, Martin Eklund, Ulf Norinder
Aggregated Conformal Prediction. AIAI Workshops (2014)
Martin Eklund, Ulf Norinder, Scott Boyer, Lars Carlsson
Choosing Feature Selection and Learning Algorithms in QSAR. J. Chem. Inf. Model. 54 (3) (2014)
Ulf Norinder, Lars Carlsson, Scott Boyer, Martin Eklund
Introducing Conformal Prediction in Predictive Modeling. A Transparent and Flexible Alternative to Applicability Domain Determination. J. Chem. Inf. Model. 54 (6) (2014)
Hongming Chen, Lars Carlsson, Mats Eriksson, Péter L. Várkonyi, Ulf Norinder, Ingemar Nilsson
Beyond the Scope of Free-Wilson Analysis: Building Interpretable QSAR Models with Machine Learning Algorithms. J. Chem. Inf. Model. 53 (6) (2013)
David J. Wood, Lars Carlsson, Martin Eklund, Ulf Norinder, Jonna C. Stålring
QSAR with experimental and predictive distributions: an information theoretic approach for assessing model quality. J. Comput. Aided Mol. Des. 27 (3) (2013)
Thashmee Karunaratne, Henrik Boström, Ulf Norinder
Comparative analysis of the use of chemoinformatics-based and substructure-based descriptors for quantitative structure-activity relationship (QSAR) modeling. Intell. Data Anal. 17 (2) (2013)
Ulf Norinder, Henrik Boström
Introducing Uncertainty in Predictive Modeling - Friend or Foe? J. Chem. Inf. Model. 52 (11) (2012)
Ya-Wen Hsiao, Carl Petersson, Mats Svensson, Ulf Norinder
A Pragmatic Approach Using First-Principle Methods to Address Site of Metabolism with Implications for Reactive Metabolite Formation. J. Chem. Inf. Model. 52 (3) (2012)
Martin Eklund, Ulf Norinder, Scott Boyer, Lars Carlsson
Application of Conformal Prediction in QSAR. AIAI (2) (2012)
Cecilia Sönströd, Ulf Johansson, Henrik Boström, Ulf Norinder
Pin-pointing concept descriptions. SMC (2010)
Ernst Ahlberg Helgee, Lars Carlsson, Scott Boyer, Ulf Norinder
Evaluation of Quantitative Structure-Activity Relationship Modeling Strategies: Local and Global Models. J. Chem. Inf. Model. 50 (4) (2010)
Thashmee Karunaratne, Henrik Boström, Ulf Norinder
Pre-Processing Structured Data for Standard Machine Learning Algorithms by Supervised Graph Propositionalization - A Case Study with Medicinal Chemistry Datasets. ICMLA (2010)
Cecilia Sönströd, Ulf Johansson, Ulf Norinder, Henrik Boström
Comprehensible Models for Predicting Molecular Interaction with Heart-Regulating Genes. ICMLA (2008)
Christel A. S. Bergström, Carola M. Wassvik, Ulf Norinder, Kristina Luthman, Per Artursson
Global and Local Computational Models for Aqueous Solubility Prediction of Drug-Like Molecules. J. Chem. Inf. Model. 44 (4) (2004)
Ulf Norinder
Support vector machine models in drug design: applications to drug transport processes and QSAR using simplex optimisations and variable selection. Neurocomputing 55 (1-2) (2003)
Christel A. S. Bergström, Ulf Norinder, Kristina Luthman, Per Artursson
Molecular Descriptors Influencing Melting Point and Their Role in Classification of Solid Drugs. J. Chem. Inf. Comput. Sci. 43 (4) (2003)
Ulf Norinder
Refinement of Catalyst hypotheses using simplex optimisation. J. Comput. Aided Mol. Des. 14 (6) (2000)
Thomas Österberg, Ulf Norinder
Prediction of Polar Surface Area and Drug Transport Processes Using Simple Parameters and PLS Statistics. J. Chem. Inf. Comput. Sci. 40 (6) (2000)
Ulf Norinder, Peter Svensson
Descriptors for amino acids using MolSurf parametrization. J. Comput. Chem. 19 (1) (1998)
Ulf Norinder
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. 7 (6) (1993)
Ulf Norinder
3-D QSAR analysis of steroid/protein interactions: The use of difference maps. J. Comput. Aided Mol. Des. 5 (5) (1991)
Ulf Norinder
Experimental design based 3-D QSAR analysis of steroid-protein interactions: Application to human CBG complexes. J. Comput. Aided Mol. Des. 4 (4) (1990)