UB Paderborn / Katalog / Suche / in CDI

Sortiert nach

Sie befinden Sich nicht im Netzwerk der Universität Paderborn. Der Zugriff auf elektronische Ressourcen ist gegebenenfalls nur via VPN oder Shibboleth (DFN-AAI) möglich. mehr Informationen...

The Royal Society of Chemistry and the delivery of chemistry data repositories for the community

Journal of computer-aided molecular design, 2014-10, Vol.28 (10), p.1023-1030

2014

Link zum Volltext

Verfügbarkeit prüfen

Towards a gold standard: regarding quality in public domain chemistry databases and approaches to improving the situation

Drug discovery today, 2012-07, Vol.17 (13-14), p.685-701

2012

Link zum Volltext

Verfügbarkeit prüfen

Identification of “Known Unknowns” Utilizing Accurate Mass Data and ChemSpider

Journal of the American Society for Mass Spectrometry, 2012-01, Vol.23 (1), p.179-185

2012

Link zum Volltext

Verfügbarkeit prüfen

Open-source QSAR models for pKa prediction using multiple machine learning approaches

Journal of cheminformatics, 2019-09, Vol.11 (1), p.60-20, Article 60

2019

Link zum Volltext

Verfügbarkeit prüfen

Deep Learning Insights into Lanthanides Complexation Chemistry

Molecules (Basel, Switzerland), 2021-05, Vol.26 (11), p.3237

2021

Link zum Volltext

Verfügbarkeit prüfen

Free and open-source QSAR-ready workflow for automated standardization of chemical structures in support of QSAR modeling

Journal of cheminformatics, 2024-02, Vol.16 (1), p.19-19

2024

Link zum Volltext

Verfügbarkeit prüfen

ChemTrove: Enabling a Generic ELN To Support Chemistry through the Use of Transferable Plug-ins and Online Data Sources

Journal of chemical information and modeling, 2015-03, Vol.55 (3), p.501-509

2015

Link zum Volltext

Verfügbarkeit prüfen

Comparison of Deep Learning With Multiple Machine Learning Methods and Metrics Using Diverse Drug Discovery Data Sets

Molecular pharmaceutics, 2017-12, Vol.14 (12), p.4462-4475

2017

Link zum Volltext

Verfügbarkeit prüfen

Graph Convolutional Neural Networks as “General-Purpose” Property Predictors: The Universality and Limits of Applicability

Journal of chemical information and modeling, 2020-01, Vol.60 (1), p.22-28

2020

Link zum Volltext

Verfügbarkeit prüfen

Size Doesn’t Matter: Predicting Physico- or Biochemical Properties Based on Dozens of Molecules

The journal of physical chemistry letters, 2021-09, Vol.12 (38), p.9213-9219

2021

Link zum Volltext

Verfügbarkeit prüfen

Automatic vs. manual curation of a multi-source chemical dictionary: the impact on text mining

Journal of cheminformatics, 2010-03, Vol.2 (1), p.3-3, Article 3

2010

Link zum Volltext

Verfügbarkeit prüfen

Transferable and Extensible Machine Learning-Derived Atomic Charges for Modeling Hybrid Nanoporous Materials

Chemistry of materials, 2020-09, Vol.32 (18), p.7822-7831

2020

Link zum Volltext

Verfügbarkeit prüfen

Machine-learning-assisted search for functional materials over extended chemical space

Materials horizons, 2020, Vol.7 (1), p.271-2718

2020

Link zum Volltext

Verfügbarkeit prüfen

Comparing and Validating Machine Learning Models for Mycobacterium tuberculosis Drug Discovery

Molecular pharmaceutics, 2018-10, Vol.15 (10), p.4346-4360

2018

Link zum Volltext

Verfügbarkeit prüfen

Machine Learning Models for Mycobacterium tuberculosis In Vitro Activity: Prediction and Target Visualization

Molecular pharmaceutics, 2022-02, Vol.19 (2), p.674-689

2022

Link zum Volltext

Verfügbarkeit prüfen

CATMoS: Collaborative Acute Toxicity Modeling Suite

Environmental health perspectives, 2021-04, Vol.129 (4), p.47013

2021

Link zum Volltext

Verfügbarkeit prüfen

Comparison of Deep Learning With Multiple Machine Learning Methods and Metrics Using Diverse Drug Discovery Datasets

Molecular pharmaceutics, 2017-11, Vol.14 (12), p.4462-4475

2017

Link zum Volltext

Verfügbarkeit prüfen

ChemSpider - building a foundation for the semantic web by hosting a crowd sourced databasing platform for chemistry

Journal of cheminformatics, 2010-05, Vol.2 (Suppl 1), p.O16-O16, Article O16

2010

Link zum Volltext

Verfügbarkeit prüfen

The ChEMBL database as linked open data

Journal of cheminformatics, 2013-05, Vol.5 (1), p.23-23, Article 23

2013

Link zum Volltext

Verfügbarkeit prüfen

Correction to “Comparing and Validating Machine Learning Models for Mycobacterium tuberculosis Drug Discovery”

Molecular pharmaceutics, 2021-07, Vol.18 (7), p.2833-2833

2021

Link zum Volltext

Verfügbarkeit prüfen

Automatic vs. manual curation of a multi-source chemical dictionary: the impact on text mining

Journal of cheminformatics, 2010-06, Vol.2 (1), p.4-4

2010

Link zum Volltext

Verfügbarkeit prüfen

Erratum: CATMoS: Collaborative Acute Toxicity Modeling Suite

Environmental health perspectives, 2021-10, Vol.129 (10), p.109001

2021

Link zum Volltext

Verfügbarkeit prüfen

Erratum: CATMoS: Collaborative Acute Toxicity Modeling Suite

Environmental health perspectives, 2021-07, Vol.129 (7)

2021

Link zum Volltext

Verfügbarkeit prüfen

High-performance integrated virtual environment (HIVE): a robust infrastructure for next-generation sequence data analysis

Database : the journal of biological databases and curation, 2016, Vol.2016, p.baw022

2016

Link zum Volltext

Verfügbarkeit prüfen

1 – 25 von 80

Suche als RSS-Feed

Suchergebnisse filtern

Filter anzeigen

Nur zeigen

Geprüft (Peer-Review)
(75)
Mit Volltextzugriff
(79)

Publikationsform

Sprache

Erscheinungsjahr

n.n

Neu hinzugefügt

... seit 30 Tagen
(1)
... seit 90 Tagen
(2)

Menü

Weitere Dienste

Einstellungen

The Royal Society of Chemistry and the delivery of chemistry data repositories for the community

Towards a gold standard: regarding quality in public domain chemistry databases and approaches to improving the situation

Identification of “Known Unknowns” Utilizing Accurate Mass Data and ChemSpider

Open-source QSAR models for pKa prediction using multiple machine learning approaches

Deep Learning Insights into Lanthanides Complexation Chemistry

Free and open-source QSAR-ready workflow for automated standardization of chemical structures in support of QSAR modeling

ChemTrove: Enabling a Generic ELN To Support Chemistry through the Use of Transferable Plug-ins and Online Data Sources

Comparison of Deep Learning With Multiple Machine Learning Methods and Metrics Using Diverse Drug Discovery Data Sets

Graph Convolutional Neural Networks as “General-Purpose” Property Predictors: The Universality and Limits of Applicability

Size Doesn’t Matter: Predicting Physico- or Biochemical Properties Based on Dozens of Molecules

Automatic vs. manual curation of a multi-source chemical dictionary: the impact on text mining

Transferable and Extensible Machine Learning-Derived Atomic Charges for Modeling Hybrid Nanoporous Materials

Machine-learning-assisted search for functional materials over extended chemical space

Comparing and Validating Machine Learning Models for Mycobacterium tuberculosis Drug Discovery

Machine Learning Models for Mycobacterium tuberculosis In Vitro Activity: Prediction and Target Visualization

CATMoS: Collaborative Acute Toxicity Modeling Suite

Comparison of Deep Learning With Multiple Machine Learning Methods and Metrics Using Diverse Drug Discovery Datasets

Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information

ChemSpider - building a foundation for the semantic web by hosting a crowd sourced databasing platform for chemistry

The ChEMBL database as linked open data

Correction to “Comparing and Validating Machine Learning Models for Mycobacterium tuberculosis Drug Discovery”

Automatic vs. manual curation of a multi-source chemical dictionary: the impact on text mining

Erratum: CATMoS: Collaborative Acute Toxicity Modeling Suite

Erratum: CATMoS: Collaborative Acute Toxicity Modeling Suite

High-performance integrated virtual environment (HIVE): a robust infrastructure for next-generation sequence data analysis

Suchergebnisse filtern