Table 2.

Criteria, attributes and their scores used for the quantitative comparison

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${}^{\mathit{TM}}$	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

${}^a$This was an exclusion criterion for this use type

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