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Diffstat (limited to 'views/csv_format.haml')
| -rw-r--r-- | views/csv_format.haml | 19 |
1 files changed, 0 insertions, 19 deletions
diff --git a/views/csv_format.haml b/views/csv_format.haml deleted file mode 100644 index 0943c2f..0000000 --- a/views/csv_format.haml +++ /dev/null @@ -1,19 +0,0 @@ -= 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. |