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Table 2 Criteria, attributes and their scores used for the quantitative comparison

From: Comparison of software tools for kinetic evaluation of chemical degradation data

Criterion Attribute Score I Score II
General information
 Licence cost for 3 years No cost 10 10
  40 users < 10,000 EUR 10  
  40 users < 30,000 EUR 5  
  10 users < 10,000 EUR   10
  10 users < 30,000 EUR   5
 Source code availability Calculations Open Source 15 15
  GUI Open Source 5 5
 Operating system Cross-platform 5 5
 Add-ins Available   2
 Programmability Available 5 5
Functionality and performance
 Number of transformation products that can be modelled ≥ 4 8 4
  ≥ 10 2 6
  Unlimited   10
 Weighting of data points Possible to implement 5 5
  Implemented 5 5
 Identification of outliers Implemented 2 2
 Kinetic models SFO, FOMC, HS, DFOP 25 10
  Monod kinetics 2 2
 Kinetic endpoints DT50/DT90, formation fractions 25 10
 Statistical endpoints \(\chi ^2\) error level 10 5
  Confidence intervals 8 5
  t test 10 5
 Further statistics Likelihood ratio test 2 2
  Log transformed rate constants 2 2
  DTx with free x 1 1
 Kinetic sorption Possible to implement   5
 Complex models Forcing data like temperature or moisture   10
  Several compartments possible 8 \(^a\)
  Repeated dosing   10
 Optimisation algorithms More than one choice   10
  MCMC possible to add   10
  MCMC implemented 0 10
 Iteratively reweighted least squares IRLS implemented 5 10
 Time needed for optimisations Possibility to abort 5 8
  Graphical progress display 5 5
 Stability No crashes 5 8
  Useful error messages 5 5
User interface and usability
 Grafical user interface (GUI) Available \(^a\) 15
  Clickable degradation pathways 10 5
  Selection of submodels 5 5
 Fixing parameters Implemented 5 5
  Easy to use 5 5
 Reusable model templates Storable 5 10
  Easy to use 5 5
 Data import Possible 5 5
  Copy and paste from MS Excel\(^{TM}\) 5 10
Documentation and Help
 Output Regulatory information 10 5
  Information for reproducibility 5 5
 Graphics Save in EMF file format 2 2
  Zoom with mouse 3 3
 Manual or online help Available 5 8
  Well structured 5 10
 Tutorial Available 2 2
  Well structured 3 3
 Training by supplier Kinetics training 5 5
 Maintenance and development Contact person 0 5
  Bug processing 4 4
  Public version control system 2 2
 Sum of scores   286 341
  1. \(^a\)This was an exclusion criterion for this use type
  2. GUI graphical user interface; SFO, FOMC, HS, DFOP: kinetic models [2]; DT50/DT90: time to degrade to 50/90%; DTx: Time to degrade to x%; MCMC Markov Chain Monte Carlo method [4]; IRLS iteratively reweighted least squares [5]; MS Microsoft Corporation; EMF enhanced metafile graphics file format