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Installieren Sie die LibKey Nomad-Browsererweiterung und erhalten Sie von vielen Webseiten einfachen Zugriff auf lizenzierte Volltexte oder Open Access Publikationen. Mehr erfahren...

PubChem 2023 update

Nucleic acids research, 2023-01, Vol.51 (D1), p.D1373-D1380

2023

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PubChem in 2021: new data content and improved web interfaces

Nucleic acids research, 2021-01, Vol.49 (D1), p.D1388-D1395

2021

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Structure-Based Virtual Screening for Drug Discovery: a Problem-Centric Review

The AAPS journal, 2012-03, Vol.14 (1), p.133-141

2012

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PubChem as a public resource for drug discovery

Drug discovery today, 2010-12, Vol.15 (23), p.1052-1057

2010

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Evaluation of the performance of four molecular docking programs on a diverse set of protein-ligand complexes

Journal of computational chemistry, 2010-08, Vol.31 (11), p.2109-2125

2010

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Large-Scale Prediction of Drug-Target Interaction: a Data-Centric Review

The AAPS journal, 2017-09, Vol.19 (5), p.1264-1275

2017

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PubChem applications in drug discovery: a bibliometric analysis

Drug discovery today, 2014-11, Vol.19 (11), p.1751-1756

2014

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FSelector: a Ruby gem for feature selection

Bioinformatics, 2012-11, Vol.28 (21), p.2851-2852

2012

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Pathway Analysis for Drug Repositioning Based on Public Database Mining

Journal of chemical information and modeling, 2014-02, Vol.54 (2), p.407-418

2014

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Binary Classification of Aqueous Solubility Using Support Vector Machines with Reduction and Recombination Feature Selection

Journal of chemical information and modeling, 2011-02, Vol.51 (2), p.229-236

2011

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PUG-View: programmatic access to chemical annotations integrated in PubChem

Journal of cheminformatics, 2019-08, Vol.11 (1), p.56-11, Article 56

2019

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Investigating the correlations among the chemical structures, bioactivity profiles and molecular targets of small molecules

Bioinformatics, 2010-11, Vol.26 (22), p.2881-2888

2010

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iCn3D: From Web-Based 3D Viewer to Structural Analysis Tool in Batch Mode

Frontiers in molecular biosciences, 2022-02, Vol.9, p.831740

2022

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Web search and data mining of natural products and their bioactivities in PubChem

Science China. Chemistry, 2013-10, Vol.56 (10), p.1424-1435

2013

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Discovering and Summarizing Relationships Between Chemicals, Genes, Proteins, and Diseases in PubChem

Frontiers in research metrics and analytics, 2021-07, Vol.6, p.689059-689059

2021

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A knowledge-guided strategy for improving the accuracy of scoring functions in binding affinity prediction

BMC bioinformatics, 2010-04, Vol.11 (1), p.193-193, Article 193

2010

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Automatic Perception of Organic Molecules Based on Essential Structural Information

Journal of chemical information and modeling, 2007-07, Vol.47 (4), p.1379-1385

2007

Volltextzugriff (PDF)

PubChem 2019 update: improved access to chemical data

Nucleic acids research, 2019-01, Vol.47 (D1), p.D1102-D1109

2019

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Comparative Assessment of Scoring Functions on a Diverse Test Set

Journal of Chemical Information and Modeling, 2009-04, Vol.49 (4), p.1079-1093

2009

Volltextzugriff (PDF)

PubChem BioAssay: 2017 update

Nucleic acids research, 2017-01, Vol.45 (D1), p.D955-D963

2017

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An update on PUG-REST: RESTful interface for programmatic access to PubChem

Nucleic acids research, 2018-07, Vol.46 (W1), p.W563-W570

2018

Volltextzugriff (PDF)

PubChem BioAssay: 2014 update

Nucleic acids research, 2014-01, Vol.42 (Database issue), p.D1075-D1082

2014

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Glycoscience data content in the NCBI Glycans and PubChem

Analytical and bioanalytical chemistry, 2024-08

2024

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PubChem Protein, Gene, Pathway, and Taxonomy Data Collections: Bridging Biology and Chemistry through Target-Centric Views of PubChem Data

Journal of molecular biology, 2022-06, Vol.434 (11), p.167514-167514, Article 167514

2022

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Predicting drug–drug interactions through drug structural similarities and interaction networks incorporating pharmacokinetics and pharmacodynamics knowledge

Journal of cheminformatics, 2017-03, Vol.9 (1), p.16-16, Article 16

2017

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PubChem 2023 update

PubChem in 2021: new data content and improved web interfaces

Structure-Based Virtual Screening for Drug Discovery: a Problem-Centric Review

PubChem as a public resource for drug discovery

Evaluation of the performance of four molecular docking programs on a diverse set of protein-ligand complexes

Large-Scale Prediction of Drug-Target Interaction: a Data-Centric Review

PubChem applications in drug discovery: a bibliometric analysis

FSelector: a Ruby gem for feature selection

Pathway Analysis for Drug Repositioning Based on Public Database Mining

Binary Classification of Aqueous Solubility Using Support Vector Machines with Reduction and Recombination Feature Selection

PUG-View: programmatic access to chemical annotations integrated in PubChem

Investigating the correlations among the chemical structures, bioactivity profiles and molecular targets of small molecules

iCn3D: From Web-Based 3D Viewer to Structural Analysis Tool in Batch Mode

Web search and data mining of natural products and their bioactivities in PubChem

Discovering and Summarizing Relationships Between Chemicals, Genes, Proteins, and Diseases in PubChem

A knowledge-guided strategy for improving the accuracy of scoring functions in binding affinity prediction

Automatic Perception of Organic Molecules Based on Essential Structural Information

PubChem 2019 update: improved access to chemical data

Comparative Assessment of Scoring Functions on a Diverse Test Set

PubChem BioAssay: 2017 update

An update on PUG-REST: RESTful interface for programmatic access to PubChem

PubChem BioAssay: 2014 update

Glycoscience data content in the NCBI Glycans and PubChem

PubChem Protein, Gene, Pathway, and Taxonomy Data Collections: Bridging Biology and Chemistry through Target-Centric Views of PubChem Data

Predicting drug–drug interactions through drug structural similarities and interaction networks incorporating pharmacokinetics and pharmacodynamics knowledge

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