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Diffstat (limited to 'views/help.haml')
| -rw-r--r-- | views/help.haml | 81 |
1 files changed, 66 insertions, 15 deletions
diff --git a/views/help.haml b/views/help.haml index 3d39641..f602dff 100644 --- a/views/help.haml +++ b/views/help.haml @@ -1,4 +1,5 @@ = link_to "Back to model creation", '/create' +%h2 Spreadsheets (Excel, CSV) %p Input files have two columns. Enter in the first column the chemical structure in %a{:href => "http://en.wikipedia.org/wiki/Simplified_molecular_input_line_entry_specification", :rel => "external"} SMILES @@ -85,26 +86,76 @@ %td 0 %p - Excel example file for download: - = link_to "hamster_carcinogenicity.xls", "/hamster_carcinogenicity.xls" + Excel examples for download: +%ul + %li + = link_to "hamster_carcinogenicity.xls", "/hamster_carcinogenicity.xls" + (classification) + %li + = link_to "EPAFHM.xls", "/EPAFHM.xls" + (regression) %h3 CSV example .code - %code - %br SMILES, Hamster Carcinogenicity - %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 + %pre + :preserve + SMILES, Hamster Carcinogenicity + CC(=O)Nc1ccc(O)cc1, 1 + O=c1[nH]cnc2[nH]ncc12, 1 + CCCCNc1cc(cc(c1Oc2ccccc2)S(=O)(=O)N)C(=O)O, 1 + CC(C)(C)NCC(O)COc1cccc2NC(=O)CCc12, 1 + CN(C)CCCC1(OCc2cc(C#N)ccc21)c3ccc(F)cc3, 1 + CCC(CC)CCN1C(=O)CN=C(C2CCCCC2F)c3cc(Cl)ccc13, 0 + CCN(CC)CC(=O)Nc1c(C)cccc1C, 0 + CC(C)(C)NCC(O)COc1cccc2CC(O)C(O)Cc12, 0 + CN1CCCC1c2cccnc2, 0 %p - CSV example for download: - = link_to "hamster_carcinogenicity.csv", "/hamster_carcinogenicity.csv" + CSV examples for download: +%ul + %li + = link_to "hamster_carcinogenicity.csv", "/hamster_carcinogenicity.csv" + (classification) + %li + = link_to "EPAFHM.csv", "/EPAFHM.csv" + (regression) %p You can create CSV files in Excel: Create a sheet with two columns and export them as CSV file with the "Save As" option from the menu, selecting the CSV (comma delimited) format. + +%h2 SDF + +%p + Currently ToxCreate supports + %a{:href => "http://en.wikipedia.org/wiki/Chemical_table_file#SDF", :rel => "external"} SDF + files with a single data item as shown below (multiple data items will raise an error). You can also download an example SDF file: + = link_to "hamster_carcinogenicity.sdf", "/hamster_carcinogenicity.sdf" + +.code + %pre + -# keep empty lines -they are required by SDF + :preserve + + + + + 6 6 0 0 0 0 0 0 0 0 1 V2000 + 1.3304 -1.0738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.1104 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 3.3767 -0.4086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.3767 -1.7390 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 2.1104 -2.1509 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 0.0000 -1.0738 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 0 + 1 5 2 0 0 0 0 + 1 6 1 0 0 0 0 + 2 3 2 0 0 0 0 + 3 4 1 0 0 0 0 + 4 5 1 0 0 0 0 + M END + > <ActivityOutcome_CPDBAS_Hamster> + inactive + + $$$$ + + |