UB Paderborn / Katalog / Suche / in CDI

1 – 25 von 84

Sortiert nach

Intrinsic Aqueous Solubility: Mechanistically Transparent Data-Driven Modeling of Drug Substances

Pharmaceutics, 2022-10, Vol.14 (10), p.2248

2022

Link zum Volltext

Verfügbarkeit prüfen

Measurement of baseline toxicity and QSAR analysis of 50 non-polar and 58 polar narcotic chemicals for the alga Pseudokirchneriella subcapitata

Chemosphere (Oxford), 2014-02, Vol.96, p.23-32

2014

Link zum Volltext

Verfügbarkeit prüfen

Combined Naïve Bayesian, Chemical Fingerprints and Molecular Docking Classifiers to Model and Predict Androgen Receptor Binding Data for Environmentally- and Health-Sensitive Substances

International journal of molecular sciences, 2021-07, Vol.22 (13), p.6695

2021

Link zum Volltext

Verfügbarkeit prüfen

Machine Learning Quantitative Structure–Property Relationships as a Function of Ionic Liquid Cations for the Gas-Ionic Liquid Partition Coefficient of Hydrocarbons

International journal of molecular sciences, 2022-07, Vol.23 (14), p.7534

2022

Link zum Volltext

Verfügbarkeit prüfen

The autoimmune regulator PHD finger binds to non-methylated histone H3K4 to activate gene expression

EMBO reports, 2008-04, Vol.9 (4), p.370-376

2008

Link zum Volltext

Verfügbarkeit prüfen

QSAR modeling and chemical space analysis of antimalarial compounds

Journal of computer-aided molecular design, 2017-05, Vol.31 (5), p.441-451

2017

Link zum Volltext

Verfügbarkeit prüfen

In Silico Mining for Antimalarial Structure-Activity Knowledge and Discovery of Novel Antimalarial Curcuminoids

Molecules (Basel, Switzerland), 2016-06, Vol.21 (7), p.853-853

2016

Link zum Volltext

Verfügbarkeit prüfen

DrugLogit: Logistic Discrimination between Drugs and Nondrugs Including Disease-Specificity by Assigning Probabilities Based on Molecular Properties

Journal of chemical information and modeling, 2012-08, Vol.52 (8), p.2165-2180

2012

Link zum Volltext

Verfügbarkeit prüfen

Binary and multi-class classification for androgen receptor agonists, antagonists and binders

Chemosphere (Oxford), 2021-01, Vol.262, p.128313-128313, Article 128313

2021

Link zum Volltext

Verfügbarkeit prüfen

Pesticide effect on earthworm lethality via interpretable machine learning

Journal of hazardous materials, 2024-01, Vol.461, p.132577-132577, Article 132577

2024

Link zum Volltext

Verfügbarkeit prüfen

Interpretable machine learning for the identification of estrogen receptor agonists, antagonists, and binders

Chemosphere (Oxford), 2024-01, Vol.347, p.140671-140671, Article 140671

2024

Link zum Volltext

Verfügbarkeit prüfen

Logistic Classification Models for pH–Permeability Profile: Predicting Permeability Classes for the Biopharmaceutical Classification System

Journal of chemical information and modeling, 2019-05, Vol.59 (5), p.2442-2455

2019

Link zum Volltext

Verfügbarkeit prüfen

Perspective on the Relationship between Melting Points and Chemical Structure

Crystal growth & design, 2001-07, Vol.1 (4), p.261-265

2001

Link zum Volltext

Verfügbarkeit prüfen

The Permeability of an Artificial Membrane for Wide Range of pH in Human Gastrointestinal Tract: Experimental Measurements and Quantitative StructureActivity Relationship

Molecular informatics, 2015-06, Vol.34 (6-7), p.493-506

2015

Link zum Volltext

Verfügbarkeit prüfen

From data point timelines to a well curated data set, data mining of experimental data and chemical structure data from scientific articles, problems and possible solutions

Journal of computer-aided molecular design, 2013-07, Vol.27 (7), p.583-603

2013

Link zum Volltext

Verfügbarkeit prüfen

Best Practices for QSAR Model Reporting: Physical and Chemical Properties, Ecotoxicity, Environmental Fate, Human Health, and Toxicokinetics Endpoints

Environmental health perspectives, 2018-12, Vol.126 (12), p.126001-126001

2018

Link zum Volltext

Verfügbarkeit prüfen

Characterization and prediction of double-layer capacitance of nanoporous carbon materials using the Quantitative nano-Structure-Property Relationship approach based on experimentally determined porosity descriptors

Carbon (New York), 2020-03, Vol.158, p.494-504

2020

Link zum Volltext

Verfügbarkeit prüfen

Public (Q)SAR Services, Integrated Modeling Environments, and Model Repositories on the Web: State of the Art and Perspectives for Future Development

Molecular informatics, 2017-03, Vol.36 (3), p.n/a

2017

Link zum Volltext

Verfügbarkeit prüfen

Synthesis of 6′-galactosyllactose, a deviant human milk oligosaccharide, with the aid of lipase-B

Organic & biomolecular chemistry, 2022-06, Vol.2 (23), p.4724-4735

2022

Link zum Volltext

Verfügbarkeit prüfen

QSAR2012 Workshop - Preface

SAR and QSAR in environmental research, 2013-04, Vol.24 (4), p.253-254

Maran, Uko

2013

Link zum Volltext

Verfügbarkeit prüfen

QSPR Treatment of the Soil Sorption Coefficients of Organic Pollutants

Journal of chemical information and modeling, 2005-01, Vol.45 (1), p.94-105

2005

Link zum Volltext

Verfügbarkeit prüfen

The quantitative structure-property relationships for the gas-ionic liquid partition coefficient of a large variety of organic compounds in three ionic liquids

Journal of molecular liquids, 2021-12, Vol.343, p.117573, Article 117573

2021

Link zum Volltext

Verfügbarkeit prüfen

The present utility and future potential for medicinal chemistry of QSAR/QSPR with whole molecule descriptors

Current topics in medicinal chemistry, 2002-12, Vol.2 (12), p.1333

2002

Link zum Volltext

Verfügbarkeit prüfen

Structurally Diverse Quantitative Structure−Property Relationship Correlations of Technologically Relevant Physical Properties

Journal of Chemical Information and Computer Sciences, 2000-01, Vol.40 (1), p.1-18

2000

Link zum Volltext

Verfügbarkeit prüfen

1 – 25 von 84

Suche als RSS-Feed

Suchergebnisse filtern

Filter anzeigen

Nur zeigen

Geprüft (Peer-Review)
(69)
Mit Volltextzugriff
(82)

Publikationsform

Sprache

Englisch
(83)
Japanisch
(10)

Erscheinungsjahr

n.n

Thema

Science & Technology
(62)
Chemistry
(47)
Physical Sciences
(44)
Technology
(40)
Life Sciences & Biomedicine
(37)
Computer Science
(36)
Computer Science, Interdisciplinary Applications
(32)
Chemistry, Multidisciplinary
(31)
Computer Science, Information Systems
(21)
Pharmacology & Pharmacy
(20)
Chemistry, Medicinal
(19)
Quantitative Structure-Activity Relationship
(17)
Qsar
(16)
Molecular Structure
(14)
Drug Design
(11)
Biochemistry & Molecular Biology
(10)
Chemistry, Physical
(9)
Humans
(9)
Models, Molecular
(9)
Computer Programs
(8)

15 weitere anzeigen...

Weniger anzeigen...

Menü

Weitere Dienste

Einstellungen

Intrinsic Aqueous Solubility: Mechanistically Transparent Data-Driven Modeling of Drug Substances

Measurement of baseline toxicity and QSAR analysis of 50 non-polar and 58 polar narcotic chemicals for the alga Pseudokirchneriella subcapitata

Combined Naïve Bayesian, Chemical Fingerprints and Molecular Docking Classifiers to Model and Predict Androgen Receptor Binding Data for Environmentally- and Health-Sensitive Substances

Machine Learning Quantitative Structure–Property Relationships as a Function of Ionic Liquid Cations for the Gas-Ionic Liquid Partition Coefficient of Hydrocarbons

Natural Variation in Arabidopsis Cvi-0 Accession Reveals an Important Role of MPK12 in Guard Cell CO2 Signaling

The autoimmune regulator PHD finger binds to non-methylated histone H3K4 to activate gene expression

QSAR modeling and chemical space analysis of antimalarial compounds

In Silico Mining for Antimalarial Structure-Activity Knowledge and Discovery of Novel Antimalarial Curcuminoids

DrugLogit: Logistic Discrimination between Drugs and Nondrugs Including Disease-Specificity by Assigning Probabilities Based on Molecular Properties

Binary and multi-class classification for androgen receptor agonists, antagonists and binders

Pesticide effect on earthworm lethality via interpretable machine learning

Interpretable machine learning for the identification of estrogen receptor agonists, antagonists, and binders

Logistic Classification Models for pH–Permeability Profile: Predicting Permeability Classes for the Biopharmaceutical Classification System

Perspective on the Relationship between Melting Points and Chemical Structure

The Permeability of an Artificial Membrane for Wide Range of pH in Human Gastrointestinal Tract: Experimental Measurements and Quantitative StructureActivity Relationship

From data point timelines to a well curated data set, data mining of experimental data and chemical structure data from scientific articles, problems and possible solutions

Best Practices for QSAR Model Reporting: Physical and Chemical Properties, Ecotoxicity, Environmental Fate, Human Health, and Toxicokinetics Endpoints

Characterization and prediction of double-layer capacitance of nanoporous carbon materials using the Quantitative nano-Structure-Property Relationship approach based on experimentally determined porosity descriptors

Public (Q)SAR Services, Integrated Modeling Environments, and Model Repositories on the Web: State of the Art and Perspectives for Future Development

Synthesis of 6′-galactosyllactose, a deviant human milk oligosaccharide, with the aid of lipase-B

QSAR2012 Workshop - Preface

QSPR Treatment of the Soil Sorption Coefficients of Organic Pollutants

The quantitative structure-property relationships for the gas-ionic liquid partition coefficient of a large variety of organic compounds in three ionic liquids

The present utility and future potential for medicinal chemistry of QSAR/QSPR with whole molecule descriptors

Structurally Diverse Quantitative Structure−Property Relationship Correlations of Technologically Relevant Physical Properties

Suchergebnisse filtern