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CATABOL specifications


Unique identifier OMICS_24002
Alternative name CATABOLite Software Engine
Software type Application/Script
Interface Command line interface
Restrictions to use None
Operating system Unix/Linux
Computer skills Advanced
Stability Stable
Maintained Yes


No version available


  • person_outline Ovanes Mekenyan

Publications for CATABOLite Software Engine

CATABOL citations


Computational Approaches to Chemical Hazard Assessment

PMCID: 5848496
PMID: 29101769
DOI: 10.14573/altex.1710141

[…] can be considered integrated testing strategies, which first break a target compound into all its possible transformations and then seek to model the whole set (). QSARs taking this approach include CATABOL (), TIMES () and DEREK (). […]


Prediction of Metabolic Pathway Involvement in Prokaryotic UniProtKB Data by Association Rule Mining

PLoS One
PMCID: 4938425
PMID: 27390860
DOI: 10.1371/journal.pone.0158896

[…] he characteristics of known signal transduction pathways and their functional annotations in the form of association rules. There are also tools that predict biodegradation pathways such as META ([], CATABOL [] and UM-PPS []. In addition, relative reasoning has been used for the prediction of mammalian detoxification pathways in order to limit combinatorial explosion []. Association rule mining wa […]


Prediction of the Fate of Organic Compounds in the Environment From Their Molecular Properties: A Review

PMCID: 4376206
PMID: 25866458
DOI: 10.1080/10643389.2014.955627

[…] der biodegradation constants (k; Desai et al., ; Tabak and Govind, ), or Monod constants (Tabak et al., ). To go further than predicting the extent of biodegradation, other models (META/MultiCASE and CATABOL/CATALOGIC) were developed to predict possible degradation products and pathways based on either expert system or machine-learning systems. The META/MultiCASE approach is an expert system that […]


Antihypertensive Drugs Metabolism: An Update to Pharmacokinetic Profiles and Computational Approaches

Curr Pharm Des
PMCID: 4435036
PMID: 25341854
DOI: 10.2174/1381612820666141024151119

[…] formed by such metabolic transformations [-]. The model of PPS (Pathway Prediction System) also uses metabolic rules describing the transformation of chemical functional groups [,]. On the other hand CATABOL is an approach that predicts chemical biodegradability in a quantitative manner []. It functions together with a probabilistic model that calculates probabilities of the individual transformat […]


Modeling the Biodegradability of Chemical Compounds Using the Online CHEmical Modeling Environment (OCHEM)

Mol Inform
PMCID: 5175213
PMID: 27485201
DOI: 10.1002/minf.201300030

[…] h has been used in many popular and recognized methods, such as BIOWIN,, Multiple Computer Automated Structure Evaluation (MultiCASE), and its subsequent development MultiCASE/META expert system. The CATABOL expert system, or PredictBT, contains biotransformation rules which are used to simulate biodegradation pathways.On the one hand, this strategy provides easily interpretable models, which tran […]


Designing Safer and Greener Antibiotics

PMCID: 4790272
PMID: 27029311
DOI: 10.3390/antibiotics2030419

[…] etermining a drug’s behavior inside the body and once released into the environment [,]. Furthermore, forays to predict biodegradation have been made using software suites such as META [], BIOWIN [], CATABOL [] and TOPKAT [].Computational screening methodologies are usually preliminary studies before Phase 0 or Pre-Phase I clinical trials. Being in a position to analyze a drugs performance without […]


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CATABOL institution(s)
Laboratory of Mathematical Chemistry, University "Prof. As. Zlatarov", Bourgas, Bulgaria; TSCA Interagency Testing Committee, WA, USA; Chemical Evaluation Division, Existing Substances Branch, Environment Canada, Gatineau, QC, Canada; Independent Toxicologist. River Falls, MN, USA; New Chemicals Evaluation Division, New Substances Branch, Environment Canada, Gatineau, QC, Canada

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