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. 2015 Jun 12;30 Suppl:s2015007. doi: 10.5620/eht.s2015007
Main criteria Description Score
Data quality Relevance: 0, 1 for borderline, 2 for exact 0-3
Quality: 0 for no-info, 1 for good quality (applied only if relevance >0)
Chemical number 0: <100,1: 100-500, 2: 500-5000, 3: >5000 0-3
Descriptors/fragments 0: no info 0-3
1: only partial info available
2: possible ambiguities depending on the chemical format
3: full description, equation available
Explicit and verified the algorithm 0: no info 0-3
1: only partial info available
2: possible ambiguities
3: full description, equation available
Applicability domain 0: no info 0-3
1: only partial info available
2: explained, but to be applied manually
3: full description, and model provide tool
Performance 0: R2<0.65,1: 0.65<R2<0.85, 2: R2>0.85 0-3
+1 added if the training set is available
Validation 0: Q2<0.60,1: 0.60<Q2<0.80, 2: Q2>0.80 0-3
+1 added if the external validation set is available
Output +1 if univocous 0-3
+1 if usable as it is
+1 if usable as key study or not
Cost 0: annual license and cost, 2: perpetual license, 3: free 0-3