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= link_to "Back to model creation", 'create'
%p
The input file should contain two columns, separated by a comma. Enter in the first column the chemical structure in
= link_to "SMILES", "http://en.wikipedia.org/wiki/Simplified_molecular_input_line_entry_specification"
format, in the second column the activity classification (1: active, 0: inactive).
%p Example:
%p
%code
%br CC(=O)Nc1ccc(O)cc1, 1
%br O=c1[nH]cnc2[nH]ncc12, 1
%br CCCCNc1cc(cc(c1Oc2ccccc2)S(=O)(=O)N)C(=O)O, 1
%br CC(C)(C)NCC(O)COc1cccc2NC(=O)CCc12, 1
%br CN(C)CCCC1(OCc2cc(C#N)ccc21)c3ccc(F)cc3, 1
%br CCC(CC)CCN1C(=O)CN=C(C2CCCCC2F)c3cc(Cl)ccc13, 0
%br CCN(CC)CC(=O)Nc1c(C)cccc1C, 0
%br CC(C)(C)NCC(O)COc1cccc2CC(O)C(O)Cc12, 0
%br CN1CCCC1c2cccnc2, 0
%p You can create input files in Excel and export them as CSV files with the "Save As" option from the menu, selecting the CSV (comma delimited) format.
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