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GUSAR specifications


Unique identifier OMICS_18395
Alternative name General Unrestricted Structure-Activity Relationships
Software type Package/Module
Interface Command line interface
Operating system Unix/Linux
License BSD 3-clause “New” or “Revised” License
Computer skills Advanced
Stability Stable
Free trial Yes
Maintained Yes




No version available



  • person_outline Vijay Masand

Additional information

A license version is also available.

Publications for General Unrestricted Structure-Activity Relationships

GUSAR citations


Comparing the performance of meta classifiers—a case study on selected imbalanced data sets relevant for prediction of liver toxicity

J Comput Aided Mol Des
PMCID: 5919997
PMID: 29626291
DOI: 10.1007/s10822-018-0116-z

[…] imbalanced HTS datasets []. Later, Zakarov et al. used under-sampling and threshold selection techniques on several imbalanced PubChem HTS assays to test and develop robust QSAR models in the program GUSAR []. In a recent study, Razzaghi et al. reported multilevel SVM-based algorithms to outperform conventional SVM, weighted SVM, neural networks, linear regression, Naïve Bayes and C4.5 tree using […]


QSAR Driven Design and Discovery of Novel Compounds With Antiplasmodial and Transmission Blocking Activities

Front Pharmacol
PMCID: 5845645
PMID: 29559909
DOI: 10.3389/fphar.2018.00146

[…] d selectivity (S) should be greater than zero. Furthermore, some ADMET properties were predicted for the best virtual hits, such as physicochemical properties (logP and logS)), acute oral toxicity by GUSAR (; , ), carcinogenicity using admetSAR (), and hERG K+ channel blockage using Pred-hERG) (; , ). […]


CLC Pred: A freely available web service for in silico prediction of human cell line cytotoxicity for drug like compounds

PLoS One
PMCID: 5784992
PMID: 29370280
DOI: 10.1371/journal.pone.0191838

[…] the general toxicity of compounds at the level of the organism may be given by our previously developed freely available web service for the prediction of rat acute toxicity (, which predicts the LD50 values for chemicals with oral, intravenous, intraperitoneal and subcutaneous routes of administration []. The PASS Online ( […]


Generation of Marker and/or Backbone Free Transgenic Wheat Plants via Agrobacterium Mediated Transformation

Front Plant Sci
PMCID: 5030305
PMID: 27708648
DOI: 10.3389/fpls.2016.01324

[…] were conducted using the digoxigenin (DIG) High Prime DNA Labeling and Detection Starter Kit I (Roche, Germany). DNA probes for the gusA gene and bar gene were synthesized using the primer sets gusAF/gusAR and barF/barR (Table ) with a PCR DIG probe synthesis kit (Roche, Germany). […]


CERAPP: Collaborative Estrogen Receptor Activity Prediction Project

Environ Health Perspect
PMCID: 4937869
PMID: 26908244
DOI: 10.1289/ehp.1510267

[…] es, some of the programs used were LeadScope (), PaDEL-Descriptor (), QikProp (version 3.4,, multilevel and quantitative neighborhoods of atoms (MNA, QNA) used by GUSAR and PASS (; ), DRAGON (), Mold2 (, ), GLIDE (version 6.5,, AutoDock (), ISIDA (), and other fingerprint generators. Some of the participants applied feature sel […]


Drug likeness of Phytic Acid and Its Analogues

PMCID: 4676049
PMID: 26668666
DOI: 10.2174/1874285801509010141

[…] d to its biological or physicochemical activity. QSAR works on the assumption that structurally similar compounds have similar activities []. In the present work, in the consensus QSAR model given by GUSAR. In the present study majority of the selected compounds correlate with experimental and predicted activity. Three models were generated by GUSAR- QNA model, MNA and Combinatorial model as given […]


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GUSAR institution(s)
Department of Chemistry, Vidya Bharati College, Camp, Amravati, Maharashtra, India; Laboratoire Chimie des Materiaux, Université Mohammed Premier, Oujda, Morocco; Department of Pharmaceutical Chemistry, P. Wadhwani College of Pharmacy, Yavatmal, Maharashtra, India; Department of Chemistry, Sree Narayana College, Kollam, Kerala, India

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