Works by Norinder, Ulf

Results: 32

Synergy conformal prediction applied to large-scale bioactivity datasets and in federated learning.

Published in:

Journal of Cheminformatics, 2021, v. 13, n. 1, p. 1, doi. 10.1186/s13321-021-00555-7

By:

Norinder, Ulf;
Spjuth, Ola;
Svensson, Fredrik

Publication type:

Article

Assessing the calibration in toxicological in vitro models with conformal prediction.

Published in:

Journal of Cheminformatics, 2021, v. 13, n. 1, p. 1, doi. 10.1186/s13321-021-00511-5

By:

Morger, Andrea;
Svensson, Fredrik;
Arvidsson McShane, Staffan;
Gauraha, Niharika;
Norinder, Ulf;
Spjuth, Ola;
Volkamer, Andrea

Publication type:

Article

Evaluating parameters for ligand-based modeling with random forest on sparse data sets.

Published in:

Journal of Cheminformatics, 2018, v. 10, n. 1, p. 1, doi. 10.1186/s13321-018-0304-9

By:

Kensert, Alexander;
Alvarsson, Jonathan;
Norinder, Ulf;
Spjuth, Ola

Publication type:

Article

Traditional Machine and Deep Learning for Predicting Toxicity Endpoints.

Published in:

Molecules, 2023, v. 28, n. 1, p. 217, doi. 10.3390/molecules28010217

By:

Norinder, Ulf

Publication type:

Article

Towards grouping concepts based on new approach methodologies in chemical hazard assessment: the read-across approach of the EU-ToxRisk project.

Published in:

2019

By:

Escher, Sylvia E.;
Kamp, Hennicke;
Bennekou, Susanne H.;
Bitsch, Annette;
Fisher, Ciarán;
Graepel, Rabea;
Hengstler, Jan G.;
Herzler, Matthias;
Knight, Derek;
Leist, Marcel;
Norinder, Ulf;
Ouédraogo, Gladys;
Pastor, Manuel;
Stuard, Sharon;
White, Andrew;
Zdrazil, Barbara;
van de Water, Bob;
Kroese, Dinant

Publication type:

Editorial

Correction: Benchmarking Variable Selection in QSAR.

Published in:

Molecular Informatics, 2012, v. 31, n. 10, p. 752, doi. 10.1002/minf.201280141

By:

Eklund, Martin;
Norinder, Ulf;
Boyer, Scott;
Carlsson, Lars

Publication type:

Article

Benchmarking Variable Selection in QSAR.

Published in:

Molecular Informatics, 2012, v. 31, n. 2, p. 173, doi. 10.1002/minf.201100142

By:

Eklund, Martin;
Norinder, Ulf;
Boyer, Scott;
Carlsson, Lars

Publication type:

Article

Automated QSAR with a Hierarchy of Global and Local Models.

Published in:

Molecular Informatics, 2011, v. 30, n. 11/12, p. 960, doi. 10.1002/minf.201100107

By:

Wood, David J.;
Buttar, David;
Cumming, John G.;
Davis, Andrew M.;
Norinder, Ulf;
Rodgers, Sarah L.

Publication type:

Article

QSAR with experimental and predictive distributions: an information theoretic approach for assessing model quality.

Published in:

Journal of Computer-Aided Molecular Design, 2013, v. 27, n. 3, p. 203, doi. 10.1007/s10822-013-9639-5

By:

Wood, David;
Carlsson, Lars;
Eklund, Martin;
Norinder, Ulf;
Stålring, Jonna

Publication type:

Article

基于斑马鱼胚胎急性毒性测试预测食用油毒性可行性研究.

Published in:

China Oils & Fats, 2020, n. 12, p. 71, doi. 10.12166/j.zgyz.1003-7969/2020.12.014

By:

朱燕华;
王钟凰;
李昱宗;
EI-NEZAMI Hani;
Ulf, NORINDER;
A., COTGREAVE Ian;
Peter, DE VITTE;
陈雪平

Publication type:

Article

CPSign: conformal prediction for cheminformatics modeling.

Published in:

Journal of Cheminformatics, 2024, v. 16, n. 1, p. 1, doi. 10.1186/s13321-024-00870-9

By:

Arvidsson McShane, Staffan;
Norinder, Ulf;
Alvarsson, Jonathan;
Ahlberg, Ernst;
Carlsson, Lars;
Spjuth, Ola

Publication type:

Article

Studies on the conformation of α-arylcinnamic acids and their esters: Crystal structures of methyl (E)-2,3-bis(3,4-dimethoxyphenyl)propenoate and methyl (Z)-2,3-bis(3,4-dimethoxyphenyl)propenoate.

Published in:

Journal of Chemical Crystallography, 2001, v. 31, n. 6, p. 321, doi. 10.1023/A:1014334914096

By:

Stomberg, Rolf;
Li, Shiming;
Lundquist, Knut;
Norinder, Ulf

Publication type:

Article

Two personal perspectives on a key issue in contemporary 3D QSAR.

Published in:

WIREs: Computational Molecular Science, 2012, v. 2, n. 1, p. 108, doi. 10.1002/wcms.69

By:

Clark, Robert D.;
Norinder, Ulf

Publication type:

Article

In Silico Prediction of Eye Irritation Using Hansen Solubility Parameters and Predicted pKa Values.

Published in:

Alternatives to Laboratory Animals, 2023, v. 51, n. 3, p. 204, doi. 10.1177/02611929231175676

By:

Andersson, Martin;
Norinder, Ulf;
Chavan, Swapnil;
Cotgreave, Ian

Publication type:

Article

Prediction of ADMET Properties.

Published in:

ChemMedChem, 2006, v. 1, n. 9, p. 920, doi. 10.1002/cmdc.200600155

By:

Norinder, Ulf;
Bergström, Christel A. S.

Publication type:

Article

Maximizing gain in high-throughput screening using conformal prediction.

Published in:

Journal of Cheminformatics, 2018, v. 10, n. 1, p. 1, doi. 10.1186/s13321-018-0260-4

By:

Svensson, Fredrik;
Afzal, Avid M.;
Norinder, Ulf;
Bender, Andreas

Publication type:

Article

Whole genome microarray analysis of neural progenitor C17.2 cells during differentiation and validation of 30 neural mRNA biomarkers for estimation of developmental neurotoxicity.

Published in:

PLoS ONE, 2017, v. 12, n. 12, p. 1, doi. 10.1371/journal.pone.0190066

By:

Attoff, Kristina;
Gliga, Anda;
Lundqvist, Jessica;
Norinder, Ulf;
Forsby, Anna

Publication type:

Article

Studying and mitigating the effects of data drifts on ML model performance at the example of chemical toxicity data.

Published in:

Scientific Reports, 2022, v. 12, n. 1, p. 1, doi. 10.1038/s41598-022-09309-3

By:

Morger, Andrea;
Garcia de Lomana, Marina;
Norinder, Ulf;
Svensson, Fredrik;
Kirchmair, Johannes;
Mathea, Miriam;
Volkamer, Andrea

Publication type:

Article

Predicting Aromatic Amine Mutagenicity with Confidence: A Case Study Using Conformal Prediction.

Published in:

Biomolecules (2218-273X), 2018, v. 8, n. 3, p. 85, doi. 10.3390/biom8030085

By:

Norinder, Ulf;
Myatt, Glenn;
Ahlberg, Ernst

Publication type:

Article

QSAR Models for Predicting Five Levels of Cellular Accumulation of Lysosomotropic Macrocycles.

Published in:

International Journal of Molecular Sciences, 2019, v. 20, n. 23, p. 5938, doi. 10.3390/ijms20235938

By:

Norinder, Ulf;
Munic Kos, Vesna

Publication type:

Article

Modelling compound cytotoxicity using conformal prediction and PubChem HTS data.

Published in:

Toxicology Research, 2017, v. 6, n. 1, p. 73, doi. 10.1039/c6tx00252h

By:

Svensson, Fredrik;
Norinder, Ulf;
Bender, Andreas

Publication type:

Article

3D-QSAR investigation of the tripos benchmark steroids and some protein-tyrosine kinase inhibitors of styrene type using the TDQ approach.

Published in:

Journal of Chemometrics, 1996, v. 10, n. 5/6, p. 533, doi. 10.1002/(SICI)1099-128X(199609)10:5/6<533::AID-CEM465>3.0.CO;2-J

By:

Norinder, Ulf

Publication type:

Article

Single and domain mode variable selection in 3D QSAR applications.

Published in:

Journal of Chemometrics, 1996, v. 10, n. 2, p. 95, doi. 10.1002/(SICI)1099-128X(199603)10:2<95::AID-CEM407>3.0.CO;2-M

By:

Norinder, Ulf

Publication type:

Article

DNA-Binding Specificity of Mutant Glucocorticoid Receptor DNA-Binding Domains.

Published in:

Annals of the New York Academy of Sciences, 1993, v. 684, n. 1, p. 253, doi. 10.1111/j.1749-6632.1993.tb32301.x

By:

ZILLIACUS, JOHANNA;
WRIGHT, ANTHONY P. H.;
NORINDER, ULF;
GUSTAFSSON, JAN-ÅKE

Publication type:

Article

Predicting the Skin Sensitization Potential of Small Molecules with Machine Learning Models Trained on Biologically Meaningful Descriptors.

Published in:

Pharmaceuticals (14248247), 2021, v. 14, n. 8, p. 790, doi. 10.3390/ph14080790

By:

Wilm, Anke;
Garcia de Lomana, Marina;
Stork, Conrad;
Mathai, Neann;
Hirte, Steffen;
Norinder, Ulf;
Kühnl, Jochen;
Kirchmair, Johannes

Publication type:

Article

Associations Between Clinical Signs and Pathological Findings in Toxicity Testing.

Published in:

Altex, 2021, v. 38, n. 2, p. 198, doi. 10.14573/altex.2003311

By:

Silva, Antero V.;
Norinder, Ulf;
Liiv, Elin;
Platzack, Björn;
Öberg, Mattias;
Törnqvist, Elin

Publication type:

Article

Descriptors for amino acids using MolSurf parametrization.

Published in:

Journal of Computational Chemistry, 1998, v. 19, n. 1, p. 51, doi. 10.1002/(SICI)1096-987X(19980115)19:1<51::AID-JCC4>3.0.CO;2-Y

By:

Norinder, Ulf;
Svensson, Peter

Publication type:

Article

Predicting Ames Mutagenicity Using Conformal Prediction in the Ames/QSAR International Challenge Project.

Published in:

Mutagenesis, 2019, v. 34, n. 1, p. 33, doi. 10.1093/mutage/gey038

By:

Norinder, Ulf;
Ahlberg, Ernst;
Carlsson, Lars

Publication type:

Article

Predicting Amazon customer reviews with deep confidence using deep learning and conformal prediction.

Published in:

Journal of Management Analytics, 2022, v. 9, n. 1, p. 1, doi. 10.1080/23270012.2022.2031324

By:

Norinder, Ulf;
Norinder, Petra

Publication type:

Article

Predicting Larch Casebearer damage with confidence using Yolo network models and conformal prediction.

Published in:

Remote Sensing Letters, 2023, v. 14, n. 10, p. 1021, doi. 10.1080/2150704X.2023.2258460

By:

Norinder, Ulf;
Lowry, Stephanie

Publication type:

Article

Representing descriptors derived from multiple conformations as uncertain features for machine learning.

Published in:

Journal of Molecular Modeling, 2013, v. 19, n. 6, p. 2679, doi. 10.1007/s00894-013-1806-z

By:

Norinder, Ulf;
Boström, Henrik

Publication type:

Article

Evaluation of 309 molecules as inducers of CYP3A4, CYP2B6, CYP1A2, OATP1B1, OCT1, MDR1, MRP2, MRP3 and BCRP in cryopreserved human hepatocytes in sandwich culture.

Published in:

Xenobiotica, 2015, v. 45, n. 2, p. 177, doi. 10.3109/00498254.2014.955831

By:

Badolo, Lassina;
Jensen, Bente;
Säll, Carolina;
Norinder, Ulf;
Kallunki, Pekka;
Montanari, Dino

Publication type:

Article