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ECOSAR specifications


Unique identifier OMICS_05034
Alternative names Ecological Structure Activity Relationships, ECOSAR Class Program
Software type Package/Module
Interface Command line interface
Restrictions to use None
Operating system Windows
Computer skills Advanced
Version 1.11
Stability Stable
Maintained Yes




No version available



  • person_outline Kelly E. Mayo-Bean
  • person_outline Kendra Moran

ECOSAR citations


Mordred: a molecular descriptor calculator

J Cheminform
PMCID: 5801138
PMID: 29411163
DOI: 10.1186/s13321-018-0258-y

[…] of Dragon), and KNIME. However, it is proprietary shareware; its source code is not open, and it is not easy to publish constructed quantitative structure–activity relationship (QSAR) models, such as Ecological Structure Activity Relationships (ECOSAR) [], on account of licensing issues. Furthermore, some descriptor calculation programs do not have a user-friendly interface and/or it is difficult […]


Comparison of chemical use between hydraulic fracturing, acidizing, and routine oil and gas development

PLoS One
PMCID: 5396893
PMID: 28422971
DOI: 10.1371/journal.pone.0175344

[…] ics of the chemicals revealed that 58 chemical additives were classified as GHS Category 1 or 2 (). Twenty-six of these classifications were determined using computational estimates from the U.S. EPA Ecological Structure Activity Relationships (ECOSAR) software for green algae ecotoxicity, available through EPI Suite. The remainder of the ecotoxicity determinations were made using experimental dat […]


Green Toxicology: a strategy for sustainable chemical and material development

PMCID: 5380705
PMID: 28435767
DOI: 10.1186/s12302-017-0115-z

[…] pport structure–toxicity relationships for risk assessment. A number of computerized models have been developed and improved to accommodate large datasets from high-throughput screening efforts (i.e. ECOSAR; Toxicity Estimation Software Tool; TEST; [, ]). As outlined by Anastas [], QSAR approaches have been successfully used for the risk assessments of a number of chemicals including dioxins and f […]


Studies on photodegradation process of psychotropic drugs: a review

PMCID: 5306312
PMID: 27696160
DOI: 10.1007/s11356-016-7727-5

[…] toproducts, while with UV-C—five (Fig. ). A kinetic study showed that under UV-A irradiation paliperidone is much less stable than under UV-C (half-lives 0.14 and 825.12 h respectively). According to ECOSAR software, toxicity of three degradation products was close to that of the parent molecule. LC50 values for two products were considerably higher than that of paliperidone (Skibiński et al. ).Fi […]


The Presence of Stimulant Drugs in Wastewater from Krakow (Poland): A Snapshot

PMCID: 4978759
PMID: 27365137
DOI: 10.1007/s00128-016-1869-5

[…] al. ) published a PNEC of 0.216 µg L−1 based on the lowest median lethal (effective) concentration (L(E)50) in algae, cladocerans and fish divided by an assessment factor of 1000. PNEC derived by the Ecological Structure Activity Relationships (ECOSAR) modeling. For mephedrone and 4-MEC, no PNECs could be found in available literature. The calculated HQs for MDMA, which are well below 1, up to 0.1 […]


Risk based prioritization of pharmaceuticals in the natural environment in Iraq

PMCID: 4956694
PMID: 27137195
DOI: 10.1007/s11356-016-6679-0
call_split See protocol

[…] uch as Quantitative Structure-Property Relationships (QSAR) used in the Organisation for Economic Co-operation and Development (OECD QSAR, ) Toolbox and the Ecological Structure Activity Relationship ECOSAR (USEPI 4.1) software, were used to fill data gaps (Guo et al. ). The database present in the QSAR Toolbox was used to identify experimental data for molecules deemed ‘similar’ to each of the in […]


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