Submission to CASMI requires an abstract file plus results files for each challenge.

The abstract should be provided as a plain text file containing details on the method and, where appropriate, metadata used. The file should be named in the form: <participant>-<category>.txt. A template is available here and examples from 2014 are available here.

For each challenge, the results should be submitted as a plain text, tab separated file with at least two columns. The first column should contain the representation of the structure as the (standard) InChI or the SMILES code. The second column should contain the score. The score should be non-negative with a higher score representing a better candidate for the evaluation script to work properly. Any further information can be contained in additional columns (but will be ignored for the automatic evaluation). Do not include headers or row names. Report the small molecules themselves, not the adduct species like [M+H]+. The file name must be in the format <participant>-<category>-<challenge>.txt, see here for an example. Only the two dashes shown are allowed in the file names. If you enter a category with different submissions, use different participant names, e.g. MetFragWithCitations and MetFragWithRT.

Send your submissions before the deadline (April 11, 2016, 23:59 MEST) in a ZIP archive to casmi-team2016@lists.sf.net.

To be considered, your submissions will have to pass the automatic evaluation without manual intervention. Participants can check this themselves, or submit an early version of their submission for a test run.

For each unknown, the absolute rank of the correct solution (ordered by score) will be determined and, if the score is equal among several candidates, the average rank over all these candidates will be used. The ranks will then be compared across all eligible entries to declare the gold (winner), silver and bronze positions for each unknown (joint positions are possible in case of ties). The overall winner will be determined using an olympic medal tally scheme.

This year, winners will be declared on the basis of the automatic evaluation. The role of the organisers will be to resolve any issues, such as (but not limited to): 1) Re-categorising an entry (submitter will be notified as soon as possible after submission) 2) Including a valid tautomer of the correct solution, if this was not considered initially in the automatic evaluation. The tautomer InChIKey will be added and all entries re-evaluated. 3) Fixing any bugs in the evaluation script - once fixed, all entries will be re-evaluated. Please report any issues to the casmi-team2016@lists.sf.net directly. 4) Reporting format issues to participants for them to fix and re-submit immediately.