AutoQSAR statistics

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Citations per year

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Tool usage distribution map

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Associated diseases

Associated diseases

AutoQSAR specifications


Unique identifier OMICS_18746
Name AutoQSAR
Software type Package/Module
Interface Command line interface
Restrictions to use License purchase required
Input data 1D, 2D or 3D structural data.
Operating system Unix/Linux, Mac OS, Windows
Computer skills Advanced
Stability Stable
Maintained Yes


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  • person_outline Matthew Repasky <>

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Publication for AutoQSAR

AutoQSAR in publication

PMCID: 5770354
PMID: 29340790
DOI: 10.1186/s13321-017-0256-5

[…] past decade, attempts have been made to attract the attentions towards the need of automation of the qsar modelling process. more recently, dixon et al. [] developed a machine-learning application (autoqsar) for automated qsar modeling. it is unable to access data directly from online repositories and users required deep understanding to prepare a curated and standardized data set […]

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AutoQSAR institution(s)
Schrödinger, Inc., New York, NY, USA; Schrödinger GmbH, Mannheim, Baden-Württemberg, Germany; Schrödinger, Inc., Portland, OR, USA
AutoQSAR funding source(s)
Supported by Schrödinger, Inc.

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