The three routes, denoted by WS1, WS2, and WS3, are recommended by the Web service with different levels of recommendation, where WS1 is the best recommended route of the web service, while WS3 is the least.
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Adsorption chromatography is best recommended for selective separation and purification of these molecules from plant extracts.
If a best recommended route can not be determined, the system will assign each candidate route a confidence score, which is generated by the verified truths and illustrates the possibility of the route to be the best recommended route.
To remedy this issue, we can use the relevant verified truths, which are some already known best recommended routes near the query locations, to evaluate these routes.
Given the relevant truths set (mathbb {T} ), the confidence score of each candidate route of (mathbb {R}) to be best recommended should be evaluated.
It happens sometimes that the mining routes and web service provided routes are different, in this case, a best recommended route cannot be easily judged.
Clearly, it shows that the precision of routes provided by Web services (WS1, WS2 and WS3) is about 70%%, however, the best recommended route WS1 has less 40%% precision.
Following the guidelines of the Category 2 challenge by the 2016 CASMI organizers, we evaluated each in silico software individually by using the best recommended settings and without secondary database rankings or use of other metadata.
