Ulf Norinder - RankMe

44 papers B 1C 2Journal 35Unranked 6

Year	Rank	Type	Title / Venue / Authors
2025	J	`jnl`	Rapid traversal of vast chemical space using machine learning-guided docking screens. Nat. Comput. Sci. Andreas Luttens, Israel Cabeza de Vaca, Leonard Sparring, José M. Brea, Antón Leandro Martínez, Nour Aldin Kahlous, Dmytro S. Radchenko, Yurii S. Moroz, María Isabel Loza, Ulf Norinder, Jens Carlsson
2024	J	`jnl`	CPSign: conformal prediction for cheminformatics modeling. J. Cheminformatics Staffan Arvidsson McShane, Ulf Norinder, Jonathan Alvarsson, Ernst Ahlberg, Lars Carlsson, Ola Spjuth
2023	J	`jnl`	Collaborative SAR Modeling and Prospective In Vitro Validation of Oxidative Stress Activation in Human HepG2 Cells. J. Chem. Inf. Model. Olivier J. M. Béquignon, José Carlos 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
2022	J	`jnl`	Identifying Novel Inhibitors for Hepatic Organic Anion Transporting Polypeptides by Machine Learning-Based Virtual Screening. J. Chem. Inf. Model. 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
2021	J	`jnl`	Assessing the calibration in toxicological in vitro models with conformal prediction. J. Cheminformatics Andrea Morger, Fredrik Svensson, Staffan Arvidsson McShane, Niharika Gauraha, Ulf Norinder, Ola Spjuth, Andrea Volkamer
2021	J	`jnl`	ChemBioSim: Enhancing Conformal Prediction of In Vivo Toxicity by Use of Predicted Bioactivities. J. Chem. Inf. Model. Marina Garcia de Lomana, Andrea Morger, Ulf Norinder, Roland Buesen, Robert Landsiedel, Andrea Volkamer, Johannes Kirchmair, Miriam Mathea
2021	J	`jnl`	Deep Learning-Based Conformal Prediction of Toxicity. J. Chem. Inf. Model. Jin Zhang, Ulf Norinder, Fredrik Svensson
2021	J	`jnl`	Synergy conformal prediction applied to large-scale bioactivity datasets and in federated learning. J. Cheminformatics Ulf Norinder, Ola Spjuth, Fredrik Svensson
2020	J	`jnl`	Correction to "Using Predicted Bioactivity Profiles to Improve Predictive Modeling". J. Chem. Inf. Model. Ulf Norinder, Ola Spjuth, Fredrik Svensson
2020	J	`jnl`	Using Predicted Bioactivity Profiles to Improve Predictive Modeling. J. Chem. Inf. Model. Ulf Norinder, Ola Spjuth, Fredrik Svensson
2019	J	`jnl`	LightGBM: An Effective and Scalable Algorithm for Prediction of Chemical Toxicity-Application to the Tox21 and Mutagenicity Data Sets. J. Chem. Inf. Model. Jin Zhang, Daniel Mucs, Ulf Norinder, Fredrik Svensson
2019	J	`jnl`	Multitask Modeling with Confidence Using Matrix Factorization and Conformal Prediction. J. Chem. Inf. Model. Ulf Norinder, Fredrik Svensson
2018	J	`jnl`	Conformal Regression for Quantitative Structure-Activity Relationship Modeling - Quantifying Prediction Uncertainty. J. Chem. Inf. Model. Fredrik Svensson, Natália Aniceto, Ulf Norinder, Isidro Cortes-Ciriano, Ola Spjuth, Lars Carlsson, Andreas Bender
2018	J	`jnl`	Evaluating parameters for ligand-based modeling with random forest on sparse data sets. J. Cheminformatics Alexander Kensert, Jonathan Alvarsson, Ulf Norinder, Ola Spjuth
2018	J	`jnl`	Maximizing gain in high-throughput screening using conformal prediction. J. Cheminformatics Fredrik Svensson, Avid M. Afzal, Ulf Norinder, Andreas Bender
2017	J	`jnl`	Applying Mondrian Cross-Conformal Prediction To Estimate Prediction Confidence on Large Imbalanced Bioactivity Data Sets. J. Chem. Inf. Model. Jiangming Sun, Lars Carlsson, Ernst Ahlberg, Ulf Norinder, Ola Engkvist, Hongming Chen
2017	J	`jnl`	Improving Screening Efficiency through Iterative Screening Using Docking and Conformal Prediction. J. Chem. Inf. Model. Fredrik Svensson, Ulf Norinder, Andreas Bender
2017	—	`conf`	Maximizing Gain in HTS Screening Using Conformal Prediction. COPA Ulf Norinder, Fredrik Svensson, Avid M. Afzal, Andreas Bender
2017	—	`conf`	On the Calibration of Aggregated Conformal Predictors. COPA Henrik Linusson, Ulf Norinder, Henrik Boström, Ulf Johansson, Tuve Löfström
2017	—	`conf`	Using Conformal Prediction to Prioritize Compound Synthesis in Drug Discovery. COPA Ernst Ahlberg, Susanne Winiwarter, Henrik Boström, Henrik Linusson, Tuve Löfström, Ulf Norinder, Ulf Johansson, Ola Engkvist, Oscar Hammar, Claus Bendtsen, Lars Carlsson
2015	—	`conf`	Conformal Prediction in Spark: Large-Scale Machine Learning with Confidence. BDC Marco Capuccini, Lars Carlsson, Ulf Norinder, Ola Spjuth
2015	J	`jnl`	The application of conformal prediction to the drug discovery process. Ann. Math. Artif. Intell. Martin Eklund, Ulf Norinder, Scott Boyer, Lars Carlsson
2014	—	`conf`	Aggregated Conformal Prediction. AIAI (Workshops) Lars Carlsson, Martin Eklund, Ulf Norinder
2014	J	`jnl`	Choosing Feature Selection and Learning Algorithms in QSAR. J. Chem. Inf. Model. Martin Eklund, Ulf Norinder, Scott Boyer, Lars Carlsson
2014	J	`jnl`	Introducing Conformal Prediction in Predictive Modeling. A Transparent and Flexible Alternative to Applicability Domain Determination. J. Chem. Inf. Model. Ulf Norinder, Lars Carlsson, Scott Boyer, Martin Eklund
2013	J	`jnl`	Beyond the Scope of Free-Wilson Analysis: Building Interpretable QSAR Models with Machine Learning Algorithms. J. Chem. Inf. Model. Hongming Chen, Lars Carlsson, Mats Eriksson, Péter L. Várkonyi, Ulf Norinder, Ingemar Nilsson
2013	J	`jnl`	Comparative analysis of the use of chemoinformatics-based and substructure-based descriptors for quantitative structure-activity relationship (QSAR) modeling. Intell. Data Anal. Thashmee Karunaratne, Henrik Boström, Ulf Norinder
2013	J	`jnl`	QSAR with experimental and predictive distributions: an information theoretic approach for assessing model quality. J. Comput. Aided Mol. Des. David J. Wood, Lars Carlsson, Martin Eklund, Ulf Norinder, Jonna C. Stålring
2012	J	`jnl`	A Pragmatic Approach Using First-Principle Methods to Address Site of Metabolism with Implications for Reactive Metabolite Formation. J. Chem. Inf. Model. Ya-Wen Hsiao, Carl Petersson, Mats Svensson, Ulf Norinder
2012	—	`conf`	Application of Conformal Prediction in QSAR. AIAI (2) Martin Eklund, Ulf Norinder, Scott Boyer, Lars Carlsson
2012	J	`jnl`	Introducing Uncertainty in Predictive Modeling - Friend or Foe? J. Chem. Inf. Model. Ulf Norinder, Henrik Boström
2010	J	`jnl`	Evaluation of Quantitative Structure-Activity Relationship Modeling Strategies: Local and Global Models. J. Chem. Inf. Model. Ernst Ahlberg Helgee, Lars Carlsson, Scott Boyer, Ulf Norinder
2010	B	`conf`	Pin-pointing concept descriptions. SMC Cecilia Sönströd, Ulf Johansson, Henrik Boström, Ulf Norinder
2010	C	`conf`	Pre-Processing Structured Data for Standard Machine Learning Algorithms by Supervised Graph Propositionalization - A Case Study with Medicinal Chemistry Datasets. ICMLA Thashmee Karunaratne, Henrik Boström, Ulf Norinder
2008	C	`conf`	Comprehensible Models for Predicting Molecular Interaction with Heart-Regulating Genes. ICMLA Cecilia Sönströd, Ulf Johansson, Ulf Norinder, Henrik Boström
2004	J	`jnl`	Global and Local Computational Models for Aqueous Solubility Prediction of Drug-Like Molecules. J. Chem. Inf. Model. Christel A. S. Bergström, Carola M. Wassvik, Ulf Norinder, Kristina Luthman, Per Artursson
2003	J	`jnl`	Molecular Descriptors Influencing Melting Point and Their Role in Classification of Solid Drugs. J. Chem. Inf. Comput. Sci. Christel A. S. Bergström, Ulf Norinder, Kristina Luthman, Per Artursson
2003	J	`jnl`	Support vector machine models in drug design: applications to drug transport processes and QSAR using simplex optimisations and variable selection. Neurocomputing Ulf Norinder
2000	J	`jnl`	Prediction of Polar Surface Area and Drug Transport Processes Using Simple Parameters and PLS Statistics. J. Chem. Inf. Comput. Sci. Thomas Österberg, Ulf Norinder
2000	J	`jnl`	Refinement of Catalyst hypotheses using simplex optimisation. J. Comput. Aided Mol. Des. Ulf Norinder
1998	J	`jnl`	Descriptors for amino acids using MolSurf parametrization. J. Comput. Chem. Ulf Norinder, Peter Svensson
1993	J	`jnl`	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. Ulf Norinder
1991	J	`jnl`	3-D QSAR analysis of steroid/protein interactions: The use of difference maps. J. Comput. Aided Mol. Des. Ulf Norinder
1990	J	`jnl`	Experimental design based 3-D QSAR analysis of steroid-protein interactions: Application to human CBG complexes. J. Comput. Aided Mol. Des. Ulf Norinder