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AZOrange specifications

Information


Unique identifier OMICS_18747
Name AZOrange
Software type Package/Module
Interface Graphical user interface
Restrictions to use None
Input data A data set.
Output data An accurate model.
Operating system Unix/Linux
Programming languages C, Python
License GNU General Public License version 3.0, GNU Lesser General Public License version 3.0
Computer skills Advanced
Stability Stable
Maintained Yes

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Versioning


No version available

Maintainer


  • person_outline Jonna Stalring <>

Publication for AZOrange

AZOrange citation

library_books

Improving structural similarity based virtual screening using background knowledge

2013
PMCID: 3928642
PMID: 24341870
DOI: 10.1186/1758-2946-5-50

[…] invariant added by rogers et al.[]: whether the atom is contained in at least one ring. these fingerprints are available via the rdkit functionality of the open source cheminformatics software azorange []. the radius parameter for the ecfp fingerprint calculation was used at the default value of r=2. the fingerprint similarity of two ecfp fingerprints is calculated with the dice […]


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AZOrange institution(s)
Computational Toxicology, Global Safety Assessment, AstraZeneca R&D, Mölndal, Sweden; EngInMotion Ltd, Viseu, Portugal

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