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PPS specifications

Information


Unique identifier OMICS_15733
Name PPS
Alternative name EAWAG-BBD Pathway Prediction System
Interface Web user interface
Restrictions to use None
Input data The drawn compound, or a SMILES string
Output data The predicted pathway, the aerobic likelihood
Programming languages Java
Database management system MySQL
Computer skills Basic
Stability Stable
Maintained Yes

Maintainer


  • person_outline Lynda Ellis

Publication for EAWAG-BBD Pathway Prediction System

PPS citations

 (5)
library_books

A new approach towards biomarker selection in estimation of human exposure to chiral chemicals: a case study of mephedrone

2017
Sci Rep
PMCID: 5693930
PMID: 29097766
DOI: 10.1038/s41598-017-12581-3

[…] d for eluting the neutral fraction, whilst 1 mL methanol/NH4OH 33% 98:2 v/v was used for the basic fraction. Analysis of data dependent MS/MS fragmentation (ddMS2) was performed. The software systems EAWAG-BBD Pathway Prediction System (http://eawag-bbd.ethz.ch/predict/) and XCMS Online by the Scripps Research Institute (https://xcmsonline.scripps.edu/) were used. […]

library_books

Analysis of EAWAG BBD pathway prediction system for the identification of malathion degrading microbes

2017
Bioinformation
PMCID: 5450248
PMID: 28584447
DOI: 10.6026/97320630013073

[…] The eawag-bbd pathway prediction system predicts microbial catabolic reactions using substructure searching, a rule-base, and atom-to-atom mapping. The system is able to recognize organic functional group […]

library_books

Multidimensional monitoring of anaerobic/aerobic azo dye based wastewater treatments by hyphenated UPLC ICP MS/ESI Q TOF MS techniques

2016
PMCID: 5391378
PMID: 27328673
DOI: 10.1007/s11356-016-7075-5

[…] ore, each signal and compound peak in the TOF-analysis could be assigned to sulfonic substances, because of their significant ICP-MS peaks. With respect to the generated suspected screening list from EAWAG-BBD pathway prediction system, three anaerobic transformation products could be found regarding to their exact measured masses. With an absolute mass shift <5 ppm in combination with the known p […]

library_books

A weight of evidence approach to assess chemicals: case study on the assessment of persistence of 4,6 substituted phenolic benzotriazoles in the environment

2016
PMCID: 5044954
PMID: 27752439
DOI: 10.1186/s12302-016-0072-y

[…] n the benzotriazole moiety. In summary, the four substances are structurally very similar to the reaction mass P.Not only the substances themselves are similar, but according to a simulation with the EAWAG-BBD Pathway Prediction System (PPS) [] also the breakdown products are similar. The PPS is the most comprehensive software to simulate degradation pathways. It is a rule-based system currently e […]

library_books

Biodegradation of imidazolium ionic liquids by activated sludge microorganisms

2015
PMCID: 4637002
PMID: 26463469
DOI: 10.1007/s10532-015-9747-0

[…] he 3-methyl-imidazolium ion remains intact after oxidation of the decyl side chain of IL3 (Fig. ) and that this ion is not susceptible for microbiological decomposition. This was also confirmed using EAWAG-BBD Pathway Prediction System (http://eawag-bbd.ethz.ch/predict/) and the module PathPred (http://www.genome.jp/tools/pathpred/) of Kyoto University Bioinformatics Center (Online Resource 1). Th […]

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PPS funding source(s)
This work was supported by the U.S. National Science Foundation (NSF0543416) and the Minnesota Supercomputing Institute.

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