Powered by OpenAIRE graph
Found an issue? Give us feedback
image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/ ZENODOarrow_drop_down
image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
ZENODO
Software . 2023
License: CC BY
Data sources: Datacite
image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
ZENODO
Software . 2023
License: CC BY
Data sources: ZENODO
image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
ZENODO
Software . 2023
License: CC BY
Data sources: Datacite
image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
ZENODO
Software . 2023
License: CC BY
Data sources: Datacite
image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
ZENODO
Software . 2023
License: CC BY
Data sources: ZENODO
 View all 3 versions
Claim

GDB Tools

integration_instructionsResearch softwarekeyboard_double_arrow_right Software 23 May 2023 English Publisher:Zenodo
Authors: Sacha Javor; Mahendra Awale; Daniel Probst;

doi: 10.5281/zenodo.7963287 , 10.5281/zenodo.7962788 , 10.5281/zenodo.7962789

Abstract

Repository of some of the Downloadable tools produced by the Reymond Laboratory. Java Mapplets in standalone jar format (Mahendra Awale) GDB-11, GDB-13,DrugBank, ChEMBL, PubChem: MQNmapplet.v01.jar ZINC, GDB-13 and PubChem: MQNmappletv3.jar ZINC ZincChemicalSpace.jar Fragrances FL-MAPPLET.jar GDB4c Similarity-Mapplet GDB4c-mapplet.jar FDB-17-Mapplet (MQN and SMIfp) FDB-17Mapplet.jar SMIfp-Mapplet (GDB-11, GDB-13, GDB-17, DrugBank, ChEMBL, PubChem, ZINC) SMIfpMAPPLET.desktop.jar Miscellaneous mapplets MQNFragMapplet.jar SMIfpFragMapplet.jar sureChEMBL.jar Cite: https://doi.org/10.1021/acs.jcim.7b00020 https://doi.org/10.1002/cmdc.202100467 https://doi.org/10.1002/minf.201900031 https://doi.org/10.1016/j.ejmech.2019.01.048 https://doi.org/10.1002/minf.201900016 Virtual Reality Chemical Space (Daniel Probst) Explore Drugbank in Virtual Reality Chemical Space using an Oculus Rift or HTC Vive VR headset. vrcs_21062018.zip Cite: https://chemrxiv.org/engage/chemrxiv/article-details/60c73e98702a9b7741189dc2 Source code for Fingerprints MQN.zip SMIfp.zip APfp.zip Xfp.zip 3DAPfp.zip 3DXfp.zip

Related Organizations
Keywords

ZINC, PubChem, Mapplets, ChEMBL, jar, GDB, DrugBank, Java, FDB

  • BIP!
    Impact byBIP!
    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).
    		 0
    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.
    		 Average
    influence
    This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
    		 Average
    impulse
    This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
    		 Average
    OpenAIRE UsageCounts
    Usage byUsageCounts
    visibility views 3
    download downloads 111
  • 3
    views
    111
    downloads
    Powered byOpenAIRE UsageCounts
Powered by OpenAIRE graph
Found an issue? Give us feedback
visibility
download
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!
views
OpenAIRE UsageCountsViews provided by UsageCounts
downloads
OpenAIRE UsageCountsDownloads provided by UsageCounts
0
Average
Average
Average
3
111