To be considered, the submissions will have to pass the automatic evaluation without manual intervention. Participants can check their submissions prior to the deadline by emailing their files for a test run through the evaluation script (this has no influence on the final results).

Only one submission per challenge and category is allowed. The submissions need to be in one file per category and challenge, named:
<participant>-<category>-<challenge>.txt

Please choose a participant name that is closely related to the name of the contact author, but is likely to be unique, e.g. Jane Smith (participant name = jsmith) and Michael Mustermann (participant name = mmuster). Please avoid white space, special characters including “./” in the participant description and also “-”, except as delimiter as shown above, e.g. sneumann-category2-challenge0.txt. Each file must have at least two columns separated by tab stop, without column or row names. Additional columns will be ignored (which means you could add any information).

Please indicate in the submission metadata file whether the entries were generated using essentially automated methods (where manual intervention is limited to converting input/output of the programs) or manual methods which include expert knowledge.

All participants will be assessed with the automatic evaluation, which calculates the (worst case) absolute ranks and score-based criteria as described in the summary paper of CASMI 2012, CASMI: And the Winner Is...

For Category 1 (molecular formula), the absolute rank will be used to determine the winner for each challenge for both automatic and manual entries.

For Category 2 (molecular structure), the absolute rank of the correct molecular structure will be used to determine the winner for each challenge for automated entries. How well the participants’ programs work will be discussed in the summary paper following the competition.

For manual entries in Category 2, the organisers will consider how rational the metadata is and then how close the proposed molecular structure is to the correct answer using the Tanimoto similarity concept. Please include sufficient details of the manual judgements in the “metadata” file accompanying manual submissions.

The participant who wins the most challenges per category will be declared the overall winner. Score-based ranks and additional considerations (how well the program worked for automated entries, or the quality of the metadata for manual entries) will be used to rank participants with the equal number of “wins”.