Ulf Norinder : rechercher sur Z-Library

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1

Prediction of ADMET Properties

Ulf Norinder, Christel A. S. Bergström

Journal:

Année:

2006

Langue:

english

Fichier:

PDF, 653 KB

english, 2006

2

Global and Local Computational Models for Aqueous Solubility Prediction of Drug-Like Molecules.

Christel A. S. Bergstroem, Carola M. Wassvik, Ulf Norinder, Kristina Luthman, Per Artusson

Journal:

Année:

2004

Fichier:

PDF, 17 KB

2004

3

Identification of Novel Specific and General Inhibitors of the Three Major Human ATP-Binding Cassette Transporters P-gp, BCRP and MRP2 Among Registered Drugs

Pär Matsson, Jenny M. Pedersen, Ulf Norinder, Christel A. S. Bergström, Per Artursson

Journal:

Pharmaceutical Research

Année:

2009

Langue:

english

Fichier:

PDF, 1.41 MB

english, 2009

4

[IEEE 2010 International Conference on Machine Learning and Applications (ICMLA) - Washington, DC, USA (2010.12.12-2010.12.14)] 2010 Ninth International Conference on Machine Learning and Applications - Pre-Processing Structured Data for Standard Machine Learning Algorithms by Supervised Graph Propositionalization - A Case Study with Medicinal Chemistry Datasets

Karunaratne, Thashmee, Bostrom, Henrik, Norinder, Ulf

Année:

2010

Langue:

english

Fichier:

PDF, 303 KB

english, 2010

5

Introducing Uncertainty in Predictive Modeling—Friend or Foe?

Norinder, Ulf, Boström, Henrik

Journal:

Journal of Chemical Information and Modeling

Année:

2012

Langue:

english

Fichier:

PDF, 1.43 MB

english, 2012

6

Beyond the Scope of Free-Wilson Analysis: Building Interpretable QSAR Models with Machine Learning Algorithms

Chen, Hongming, Carlsson, Lars, Eriksson, Mats, Varkonyi, Peter, Norinder, Ulf, Nilsson, Ingemar

Journal:

Journal of Chemical Information and Modeling

Année:

2013

Langue:

english

Fichier:

PDF, 3.65 MB

english, 2013

7

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

Ulf Norinder, Henrik Boström

Journal:

Journal of Molecular Modeling

Année:

2013

Langue:

english

Fichier:

PDF, 401 KB

english, 2013

8

Introducing Conformal Prediction in Predictive Modeling. A Transparent and Flexible Alternative to Applicability Domain Determination

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

Journal:

Journal of Chemical Information and Modeling

Année:

2014

Langue:

english

Fichier:

PDF, 398 KB

english, 2014

9

In Silico Categorization of in Vivo Intrinsic Clearance Using Machine Learning

Hsiao, Ya-Wen, Fagerholm, Urban, Norinder, Ulf

Journal:

Molecular Pharmaceutics

Année:

2013

Langue:

english

Fichier:

PDF, 628 KB

english, 2013

10

Evaluation of Quantitative Structure−Activity Relationship Modeling Strategies: Local and Global Models

Helgee, Ernst Ahlberg, Carlsson, Lars, Boyer, Scott, Norinder, Ulf

Journal:

Journal of Chemical Information and Modeling

Année:

2010

Langue:

english

Fichier:

PDF, 7.75 MB

english, 2010

11

Introducing conformal prediction in predictive modeling for regulatory purposes. A transparent and flexible alternative to applicability domain determination

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

Journal:

Regulatory Toxicology and Pharmacology

Année:

2015

Langue:

english

Fichier:

PDF, 652 KB

english, 2015

12

Modelling compound cytotoxicity using conformal prediction and PubChem HTS data

Svensson, Fredrik, Norinder, Ulf, Bender, Andreas

Journal:

Toxicology Research

Année:

2017

Langue:

english

Fichier:

PDF, 320 KB

english, 2017

13

Alterations in high-density lipoprotein proteome and function associated with persistent organic pollutants

Ljunggren, Stefan A., Helmfrid, Ingela, Norinder, Ulf, Fredriksson, Mats, Wingren, Gun, Karlsson, Helen, Lindahl, Mats

Journal:

Environment International

Année:

2016

Langue:

english

Fichier:

PDF, 628 KB

english, 2016

14

Improving Screening Efficiency through Iterative Screening Using Docking and Conformal Prediction

Svensson, Fredrik, Norinder, Ulf, Bender, Andreas

Journal:

Journal of Chemical Information and Modeling

Année:

2017

Langue:

english

Fichier:

PDF, 518 KB

english, 2017

15

LightGBM: An Effective and Scalable Algorithm for Prediction of Chemical Toxicity – Application to the Tox21 and Mutagenicity Datasets

Zhang, Jin, Mucs, Daniel, Norinder, Ulf, Svensson, Fredrik

Journal:

Journal of Chemical Information and Modeling

Année:

2019

Langue:

english

Fichier:

PDF, 1010 KB

english, 2019

16

Deep Docking: A Deep Learning Platform for Augmentation of Structure Based Drug Discovery

Gentile, Francesco, Agrawal, Vibudh, Hsing, Michael, Ton, Anh-Tien, Ban, Fuqiang, Norinder, Ulf, Gleave, Martin E., Cherkasov, Artem

Journal:

ACS Central Science

Année:

2020

Fichier:

PDF, 2.96 MB

2020

17

Descriptors for amino acids using MolSurf parametrization

Norinder, Ulf, Svensson, Peter

Journal:

Journal of Computational Chemistry

Année:

1998

Langue:

english

Fichier:

PDF, 222 KB

english, 1998

18

Single and domain mode variable selection in 3D QSAR applications

Journal:

Journal of Chemometrics

Année:

1996

Langue:

english

Fichier:

PDF, 580 KB

english, 1996

19

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

Journal:

Journal of Chemometrics

Année:

1996

Langue:

english

Fichier:

PDF, 737 KB

english, 1996

20

ChemInform Abstract: Prediction of Polar Surface Area and Drug Transport Processes Using Simple Parameters and PLS Statistics.

Thomas Oesterberg, Ulf Norinder

Journal:

Année:

2001

Fichier:

PDF, 25 KB

2001

21

Molecular Descriptors Influencing Melting Point and Their Role in Classification of Solid Drugs.

Christel A. S. Bergstroem, Ulf Norinder, Kristina Luthman, Per Artursson

Journal:

Année:

2003

Fichier:

PDF, 52 KB

2003

22

Experimental design-based quantitative structure—toxicity relationship of some local anaesthetics using the PLS method

Journal:

Journal of Applied Toxicology

Année:

1992

Langue:

english

Fichier:

PDF, 393 KB

english, 1992

23

Theoretical calculation and prediction of drug transport processes using simple parameters and partial least squares projections to latent structures (PLS) statistics. The use of electrotopological state indices

Ulf Norinder, Thomas Österberg

Journal:

Journal of Pharmaceutical Sciences

Année:

2001

Langue:

english

Fichier:

PDF, 187 KB

english, 2001

24

Structural features determining the intestinal epithelial permeability and efflux of novel HIV-1 protease inhibitors

Lucia Lazorova, Ina Hubatsch, Jenny K. Ekegren, Johan Gising, Daisuke Nakai, Noha M. Zaki, Christel A. S. Bergström, Ulf Norinder, Mats Larhed, Per Artursson

Journal:

Journal of Pharmaceutical Sciences

Année:

2011

Langue:

english

Fichier:

PDF, 384 KB

english, 2011

25

Automated QSAR with a Hierarchy of Global and Local Models

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

Journal:

Molecular Informatics

Année:

2011

Langue:

english

Fichier:

PDF, 2.08 MB

english, 2011

26

Analysis of reversed-phase liquid chromatographic separations using the data-reduction methods PCR and PLS

Journal:

Analytica Chimica Acta

Année:

1992

Langue:

english

Fichier:

PDF, 305 KB

english, 1992

27

Health–health analysis—an alternative method for economic appraisal of health policy and safety regulation: Some empirical Swedish estimates

Krister Hjalte, Anna Norinder, Ulf Persson, Pia Maraste

Journal:

Accident Analysis & Prevention

Année:

2003

Langue:

english

Fichier:

PDF, 77 KB

english, 2003

28

The dianion of [2.2.2]paracyclophene; a 20 π-perimeter species?

David Tanner, Olof Wennerström, Ulf Norinder, Klaus Müllen, Rainer Trinks

Journal:

Année:

1986

Langue:

english

Fichier:

PDF, 282 KB

english, 1986

29

[26]paracyclophanehexaenes

Ulf Norinder, David Tanner, Olof Wennerström

Journal:

Tetrahedron Letters

Année:

1983

Langue:

english

Fichier:

PDF, 237 KB

english, 1983

30

1,6:9,14-bismethano[16]annulene - a new bridged [4n]annulene

Emanuel Vogel, Ulf Kürschner, Hans Schmickler, Johann Lex, Olof Wennerström, David Tanner, Ulf Norinder, Carl Krüger

Journal:

Tetrahedron Letters

Année:

1985

Langue:

english

Fichier:

PDF, 223 KB

english, 1985

31

Macrocyclic π-systems with C2-symmetry as the sum of π-systems with hückel and möbius topology

Ulf Norinder, Olof Wennerström, H»kan Wennerström

Journal:

Tetrahedron Letters

Année:

1984

Langue:

english

Fichier:

PDF, 252 KB

english, 1984

32

Correlated flipping of four benzene rings in substituted [2.2.2.2]Paracyclophanetetraenes

Ulf Norinder, Olof Wennerström

Journal:

Tetrahedron Letters

Année:

1984

Langue:

english

Fichier:

PDF, 277 KB

english, 1984

33

A sixfold triplet-sensitized Z/E isomerization of a π-perimeter macrocycle

Mikael Sundahl, Olof Wennerström, Kjell Sandros, Ulf Norinder

Journal:

Tetrahedron Letters

Année:

1986

Langue:

english

Fichier:

PDF, 232 KB

english, 1986

34

Quantitative Structure-Property Relationships of Azurin Mutants from Pseudomonas Aeruginosa

Ulf Norinder, B. Göran Karlsson, Lennart Sjölin, Torbjörn Pascher, Nicklas Bonander

Journal:

Molecular Informatics

Année:

1996

Langue:

english

Fichier:

PDF, 452 KB

english, 1996

35

Experimental design based 3-D QSAR analysis of steroid-protein interactions: Application to human CBG complexes

Journal:

Journal of Computer-Aided Molecular Design

Année:

1990

Langue:

english

Fichier:

PDF, 343 KB

english, 1990

36

A PLS QSAR analysis using 3D generated aromatic descriptors of principal property type: Application to some dopamine D2 benzamide antagonists

Journal:

Journal of Computer-Aided Molecular Design

Année:

1993

Langue:

english

Fichier:

PDF, 616 KB

english, 1993

37

3-D QSAR analysis of steroid/protein interactions: The use of difference maps

Journal:

Journal of Computer-Aided Molecular Design

Année:

1991

Langue:

english

Fichier:

PDF, 280 KB

english, 1991

38

Discrimination between modes of toxic action of phenols using rule based methods

Ulf Norinder, Per Lidén, Henrik Boström

Journal:

Molecular Diversity

Année:

2006

Langue:

english

Fichier:

PDF, 225 KB

english, 2006

39

Hückel theory applied to large linear and cyclic conjugated π-systems

Ulf Norinder, Olof Wennerström, Hakan Wennerström

Journal:

Année:

1985

Langue:

english

Fichier:

PDF, 860 KB

english, 1985

40

A quantitative structure-activity relationship study of some substance P-related peptides A multivariate approach using PLS and variable selection

ULF NORINDER, CLAUDIO RIVERA, ANDERS UNDÉN

Journal:

Chemical Biology & Drug Design

Année:

1997

Langue:

english

Fichier:

PDF, 684 KB

english, 1997

41

Theoretical calculation and prediction of brain–blood partitioning of organic solutes using MolSurf parametrization and PLS statistics

Ulf Norinder, Per Sjöberg, Thomas Österberg

Journal:

Journal of Pharmaceutical Sciences

Année:

1998

Langue:

english

Fichier:

PDF, 126 KB

english, 1998

42

Refinement of Catalyst hypotheses using simplex optimisation

Journal:

Journal of Computer-Aided Molecular Design

Année:

2000

Langue:

english

Fichier:

PDF, 241 KB

english, 2000

43

The applicability of computational chemistry in the evaluation and prediction of drug transport properties

Ulf Norinder, Thomas Österberg

Journal:

Perspectives in Drug Discovery and Design

Année:

2000

Langue:

english

Fichier:

PDF, 116 KB

english, 2000

44

The Value of a Statistical Life in Transport: Findings from a New Contingent Valuation Study in Sweden

Ulf Persson, Anna Norinder, Krister Hjalte, Katarina Gralén

Journal:

Journal of Risk and Uncertainty

Année:

2001

Langue:

english

Fichier:

PDF, 113 KB

english, 2001

45

Theoretical Calculation and Prediction of Caco-2 Cell Permeability Using MolSurf Parametrization and PLS Statistics

Ulf Norinder, Thomas Österberg, Per Artursson

Journal:

Pharmaceutical Research

Année:

1997

Fichier:

PDF, 495 KB

1997

46

Experimental and Computational Screening Models for Prediction of Aqueous Drug Solubility

Christel A. S. Bergström, Ulf Norinder, Kristina Luthman, Per Artursson

Journal:

Pharmaceutical Research

Année:

2002

Langue:

english

Fichier:

PDF, 156 KB

english, 2002

47

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

Rolf Stomberg, Shiming Li, Knut Lundquist, Ulf Norinder

Journal:

Journal of Chemical Crystallography

Année:

2001

Langue:

english

Fichier:

PDF, 94 KB

english, 2001

48

Recent progress in CoMFA methodology and related techniques

Journal:

Perspectives in Drug Discovery and Design

Année:

1998

Langue:

english

Fichier:

PDF, 54 KB

english, 1998

49

A 3D-QSAR Study of Analogs of (Z)-5-Decenyl Acetate, A Pheromone Component of the Turnip Moth,Agrotis segetum

Ulf Norinder, Anna-Lena Gustavsson, Tommy Liljefors

Journal:

Journal of Chemical Ecology

Année:

1997

Langue:

english

Fichier:

PDF, 1.33 MB

english, 1997

50

Benchmarking Variable Selection in QSAR

Martin Eklund, Ulf Norinder, Scott Boyer, Lars Carlsson

Journal:

Molecular Informatics

Année:

2012

Langue:

english

Fichier:

PDF, 226 KB

english, 2012