nAnnolyze statistics

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nAnnolyze specifications

Information


Unique identifier OMICS_08211
Name nAnnolyze
Software type Package/Module
Interface Command line interface
Restrictions to use None
Input data A compound ID and its SMILE in case of a new compound or only the DrugBank ID in case of a DrugBank drug.
Operating system Unix/Linux
Computer skills Advanced
Stability Stable
Maintained No

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Information


Unique identifier OMICS_08211
Name nAnnolyze
Interface Web user interface
Restrictions to use None
Input data A compound ID and its SMILE in case of a new compound or only the DrugBank ID in case of a DrugBank drug.
Computer skills Basic
Stability Stable
Maintained No

Maintainer


This tool is not available anymore.

Publication for nAnnolyze

nAnnolyze in publications

 (2)
PMCID: 4671658
PMID: 26642067
DOI: 10.1371/journal.pone.0142293

[…] a network of 3d structural similarities between compounds and targets was built to identify the most likely targets of a given compound in the gsk dataset. to explore the structural space, we used nannolyze, an improved version of our previously published annolyze algorithm [], which was based on homology detection through structural superimposition of targets and their interaction networks […]

PMCID: 3789770
PMID: 24098102
DOI: 10.1371/journal.pcbi.1003253

[…] for both datasets. to assess the diversity of the dataset, we applied our random forest score (rfs) to identify pairs of similar compounds (). an all-against-all comparison was performed by nannolyze and any pair of compounds with an rfs higher than 0.9 were considered similar. the resulting network of compound similarities was layered using cytoscape (). the entire dataset of 776 […]


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nAnnolyze institution(s)
Genome Biology Group, Centre Nacional d'Aanàlisi Genòmica (CNAG), Barcelona, Spain

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