Ulf Norinder - researchr alias

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Viewing Publication 1 - 42 from 42

2023

Collaborative SAR Modeling and Prospective In Vitro Validation of Oxidative Stress Activation in Human HepG2 CellsOlivier 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. jcisd, 63(17):5433-5445, September 2023. [doi]

2022

Identifying Novel Inhibitors for Hepatic Organic Anion Transporting Polypeptides by Machine Learning-Based Virtual ScreeningAlzbeta Türková, Brandon J. Bongers, Ulf Norinder, Orsolya Ungvári, Virág Székely, Andrey Tarnovskiy, Gergely Szakács, Csilla Özvegy-Laczka, Gerard J. P. van Westen, Barbara Zdrazil. jcisd, 62(24):6323-6335, 2022. [doi]

2021

2020

Using Predicted Bioactivity Profiles to Improve Predictive ModelingUlf Norinder, Ola Spjuth, Fredrik Svensson. jcisd, 60(6):2830-2837, 2020. [doi]

Correction to "Using Predicted Bioactivity Profiles to Improve Predictive Modeling"Ulf Norinder, Ola Spjuth, Fredrik Svensson. jcisd, 60(12):6722, 2020. [doi]

2019

Multitask Modeling with Confidence Using Matrix Factorization and Conformal PredictionUlf Norinder, Fredrik Svensson. jcisd, 59(4):1598-1604, 2019. [doi]

LightGBM: An Effective and Scalable Algorithm for Prediction of Chemical Toxicity-Application to the Tox21 and Mutagenicity Data SetsJin Zhang, Daniel Mucs, Ulf Norinder, Fredrik Svensson. jcisd, 59(10):4150-4158, 2019. [doi]

2018

2017

Using Conformal Prediction to Prioritize Compound Synthesis in Drug DiscoveryErnst Ahlberg, Susanne Winiwarter, Henrik Boström, Henrik Linusson, Tuve Löfström, Ulf Norinder, Ulf Johansson, Ola Engkvist, Oscar Hammar, Claus Bendtsen, Lars Carlsson. copa 2017: 174-184 [doi]

On the Calibration of Aggregated Conformal PredictorsHenrik Linusson, Ulf Norinder, Henrik Boström, Ulf Johansson, Tuve Löfström. copa 2017: 154-173 [doi]

Maximizing Gain in HTS Screening Using Conformal PredictionUlf Norinder, Fredrik Svensson, Avid M. Afzal, Andreas Bender. copa 2017: 103-117 [doi]

Applying Mondrian Cross-Conformal Prediction To Estimate Prediction Confidence on Large Imbalanced Bioactivity Data SetsJiangming Sun, Lars Carlsson, Ernst Ahlberg, Ulf Norinder, Ola Engkvist, Hongming Chen. jcisd, 57(7):1591-1598, July 2017. [doi]

Improving Screening Efficiency through Iterative Screening Using Docking and Conformal PredictionFredrik Svensson, Ulf Norinder, Andreas Bender. jcisd, 57(3):439-444, 2017. [doi]

2015

Conformal Prediction in Spark: Large-Scale Machine Learning with ConfidenceMarco Capuccini, Lars Carlsson, Ulf Norinder, Ola Spjuth. bdc 2015: 61-67 [doi]

The application of conformal prediction to the drug discovery processMartin Eklund, Ulf Norinder, Scott Boyer, Lars Carlsson. AMAI, 74(1-2):117-132, 2015. [doi]

2014

2013

2012

Application of Conformal Prediction in QSARMartin Eklund, Ulf Norinder, Scott Boyer, Lars Carlsson. ifip12 2012: 166-175 [doi]

A Pragmatic Approach Using First-Principle Methods to Address Site of Metabolism with Implications for Reactive Metabolite FormationYa Wen Hsiao, Carl Petersson, Mats Svensson, Ulf Norinder. jcisd, 52(3):686-695, 2012. [doi]

Introducing Uncertainty in Predictive Modeling - Friend or Foe?Ulf Norinder, Henrik Boström. jcisd, 52(11):2815-2822, 2012. [doi]

2010

2008

Comprehensible Models for Predicting Molecular Interaction with Heart-Regulating GenesCecilia SÃ¶nstrÃ¶d, Ulf Johansson, Ulf Norinder, Henrik BostrÃ¶m. icmla 2008: 559-564 [doi]

2004

Global and Local Computational Models for Aqueous Solubility Prediction of Drug-Like MoleculesChristel A. S. Bergström, Carola M. Wassvik, Ulf Norinder, Kristina Luthman, Per Artursson. jcisd, 44(4):1477-1488, 2004. [doi]

2003

Molecular Descriptors Influencing Melting Point and Their Role in Classification of Solid DrugsChristel A. S. Bergström, Ulf Norinder, Kristina Luthman, Per Artursson. jcisd, 43(4):1177-1185, 2003. [doi]

Support vector machine models in drug design: applications to drug transport processes and QSAR using simplex optimisations and variable selectionUlf Norinder. ijon, 55(1-2):337-346, 2003. [doi]

2000

Refinement of Catalyst hypotheses using simplex optimisationUlf Norinder. jcamd, 14(6):545-557, 2000. [doi]

Prediction of Polar Surface Area and Drug Transport Processes Using Simple Parameters and PLS StatisticsThomas Ã–sterberg, Ulf Norinder. jcisd, 40(6):1408-1411, 2000. [doi]

1998

Descriptors for amino acids using MolSurf parametrizationUlf Norinder, Peter Svensson. jcc, 19(1):51-59, 1998. [doi]

1993

A PLS QSAR analysis using 3D generated aromatic descriptors of principal property type: Application to some dopamine D2 benzamide antagonistsUlf Norinder. jcamd, 7(6):671-682, 1993.

1991

3-D QSAR analysis of steroid/protein interactions: The use of difference mapsUlf Norinder. jcamd, 5(5):419-426, 1991. [doi]

1990

Experimental design based 3-D QSAR analysis of steroid-protein interactions: Application to human CBG complexesUlf Norinder. jcamd, 4(4):381-389, 1990. [doi]

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