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Diffstat (limited to 'views/help.haml')
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diff --git a/views/help.haml b/views/help.haml new file mode 100644 index 0000000..eabf978 --- /dev/null +++ b/views/help.haml @@ -0,0 +1,104 @@ += link_to "Back to model creation", '/create' +%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"} SMILES + format, in the second column the toxic activity. +%dl + %dt Classification datasets + %dd Please use 1/0, active/inactive or true/false to indicate active/inactive compounds. + %dt Regression datasets + %dd + Enter a quantitative value. For optimal performance you should + %ul + %li + use + %a{:href => "http://en.wikipedia.org/wiki/Molar_(concentration)"} molar + units + %li enter non-logarithmic values (logarithms are taken internally) + %li avoid 0 activities (will be ignored) +%p + Input files are accepted in + %a{:href => "http://en.wikipedia.org/wiki/Microsoft_Excel"} Excel + and + %a{:href => "en.wikipedia.org/wiki/Comma-separated_values"} CSV + formats. + +%h3 Excel example + +- n = 0 + +.code + %table + %tr + %td + %th A + %th B + %tr + - n += 1 + %th= n + %td CC(=O)Nc1ccc(O)cc1 + %td 1 + %tr + - n += 1 + %th= n + %td O=c1[nH]cnc2[nH]ncc12 + %td 1 + %tr + - n += 1 + %th= n + %td CCCCNc1cc(cc(c1Oc2ccccc2)S(=O)(=O)N)C(=O)O + %td 1 + %tr + - n += 1 + %th= n + %td CC(C)(C)NCC(O)COc1cccc2NC(=O)CCc12 + %td 1 + %tr + - n += 1 + %th= n + %td CN(C)CCCC1(OCc2cc(C#N)ccc21)c3ccc(F)cc3 + %td 1 + %tr + - n += 1 + %th= n + %td CCC(CC)CCN1C(=O)CN=C(C2CCCCC2F)c3cc(Cl)ccc13 + %td 0 + %tr + - n += 1 + %th= n + %td CCN(CC)CC(=O)Nc1c(C)cccc1C + %td 0 + %tr + - n += 1 + %th= n + %td CC(C)(C)NCC(O)COc1cccc2CC(O)C(O)Cc12 + %td 0 + %tr + - n += 1 + %th= n + %td CN1CCCC1c2cccnc2 + %td 0 + +%p + Excel example file for download: + = link_to "hamster_carcinogenicity.xls", "/hamster_carcinogenicity.xls" + +%h3 CSV example + +.code + %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 + CSV example for download: + = link_to "hamster_carcinogenicity.csv", "/hamster_carcinogenicity.csv" + +%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. |