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Toxmatch specifications


Unique identifier OMICS_05025
Name Toxmatch
Alternative name Toxmatch 2
Software type Package/Module
Interface Command line interface
Restrictions to use None
Operating system Unix/Linux
Computer skills Advanced
Stability Stable
Maintained Yes




No version available


  • person_outline A Gallegos-Saliner

Publication for Toxmatch

Toxmatch citations


Ab initio chemical safety assessment: A workflow based on exposure considerations and non animal methods

PMCID: 5695905
PMID: 29214231
DOI: 10.1016/j.comtox.2017.10.001
call_split See protocol

[…] o)transformations has to be taken into account. A number of software tools are available to support finding suitable analogues, such as the OECD QSAR Toolbox, Analog Identification methodology (AIM), Toxmatch and AMBIT (see recent review in Patlewicz et al. ).By grouping similar substances, it is possible to infer properties and toxicity from data-rich substances in the group (sources) to the data […]


Alignment independent technique for 3D QSAR analysis

J Comput Aided Mol Des
PMCID: 4833814
PMID: 27026022
DOI: 10.1007/s10822-016-9909-0

[…] obvious which of the ten strong or medium AR-binding compounds could best serve as each ones template. For each the best template was selected based on a structural similarity index calculated using ToxMatch 1.0.7 []. Specifics of this process can be found in Online Resource 5 and Online Resource 6.Genistein in comparison with its manually chosen template, 6-hydroxyflavanone, was arbitrarily chos […]


In silico toxicology: computational methods for the prediction of chemical toxicity

PMCID: 4785608
PMID: 27066112
DOI: 10.1002/wcms.1240
call_split See protocol

[…] o predict carcinogenicity, hepatoxicity, aquatic toxicity, reproductive toxicity, skin sensitization, and environmental toxicity. Examples of tools implementing read‐across are The OECD QSAR Toolbox, Toxmatch, ToxTree, AMBIT, AmbitDiscovery, AIM, DSSTox, or ChemIDplus. A detailed explanation of some of these tools is available in refs. , , , , , , , . […]


Identification of a better Homo sapiens Class II HDAC inhibitor through binding energy calculations and descriptor analysis

BMC Bioinformatics
PMCID: 2957684
PMID: 21106123
DOI: 10.1186/1471-2105-11-S7-S16

[…] ur study. Two HDAC inhibitors (SAHA and TSA) are docked to the six homology models. The pharmacological properties of SAHA and TSA were identified using Molinspiration, Osiris Property, ToxBoxes, and Toxmatch-v1.06. Therefore, the molecular binding interactions between the histone deacetylases with SAHA and TSA were analyzed to provide some insights into the molecular interactions and designing ne […]


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Toxmatch institution(s)
Institute for Health and Consumer Protection, Joint Research Centre—European Commission, Ispra, Italy; Institut de Química Computacional, Universitat de Girona, Campus Montilivi, Girona, Spain; Dipartimento di Chimica, Università degli Studi di Salerno, via Ponte don Melillo, Fisciano, Italy; Ideaconsult Ltd., Sofia, Bulgaria; DuPont Global Centers for Health and Environmental Sciences, Newark, DE, USA

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