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Conference object . 2016
License: CC BY
Data sources: Datacite
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Other literature type . 2016
License: CC BY
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https://dx.doi.org/10.5281/zen...
Other literature type
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https://dx.doi.org/10.5281/zen...
Other literature type
Data sources: Microsoft Academic Graph
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3-D-Echem Vm: Cheminformatics Research Infrastructure In A Downloadable Virtual Machine

descriptionPublicationkeyboard_double_arrow_right Conference object , Other literature type 24 Feb 2016Publisher:Zenodo
Authors: Verhoeven, Stefan; Vass, Marton; de Esch, Iwan; Leurs, Rob; Lusher, Scott; Vriend, Gerrrit; Ritschel, Tina; +2 Authors

doi: 10.5281/zenodo.47208

3-D-Echem Vm: Cheminformatics Research Infrastructure In A Downloadable Virtual Machine

Abstract

3D-e-Chem VM is a freely available Virtual Machine (VM) encompassing tools, databases & workflows, including new resources developed for ligand binding site comparisons and GPCR research. The VM contains a fully functional cheminformatics infrastructure consisting of a chemistry enabled relational database system (PostgreSQL + RDKit) with a data analytics workflow tool (KNIME) and additional cheminformatics capabilities. Tools, workflows and reference data sets are made available. The wide range of cheminformatics functionalities are provided in the downloadable 3D-e-Chem VM allowing immediate use in research and education.

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Keywords

GPCR, Pharmacophore, Cheminformatics, KNIME, Fingerprints, Fingerprints, KRIPO, Pharmacophore

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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
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