The ChemicalToolbox: reproducible, user-friendly cheminformatics analysis on the Galaxy platform

The ChemicalToolbox: reproducible, user-friendly cheminformatics analysis on the Galaxy platform

Abstract Here, we introduce the ChemicalToolbox, a publicly available web server for performing cheminformatics analysis. The ChemicalToolbox provides an intuitive, graphical interface for common tools for downloading, filtering, visualizing and simulating small molecules and proteins. The ChemicalT...

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Bibliographic Details
Main Authors: Simon A. Bray, Xavier Lucas, Anup Kumar, Björn A. Grüning
Format: Article
Language:English
Published: BMC 2020-06-01
Series:Journal of Cheminformatics
Subjects:
Cheminformatics
Protein-ligand docking
QSAR
Galaxy
Molecular dynamics
Online Access:http://link.springer.com/article/10.1186/s13321-020-00442-7

Internet

http://link.springer.com/article/10.1186/s13321-020-00442-7

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