diff options
author | Andreas Maunz <andreas@maunz.de> | 2012-10-11 14:39:34 +0200 |
---|---|---|
committer | Andreas Maunz <andreas@maunz.de> | 2012-10-11 14:39:34 +0200 |
commit | 8edcde1793f0dc523895df056def0f456364943a (patch) | |
tree | c3be70180ba3fb1e1f125c5ed958f0271706cf0a | |
parent | 908657fc24dfcfe4d077ff0a671cccaef88e3ca0 (diff) |
Reduced
-rw-r--r-- | _posts/2012-09-11-development-vanilla-version.md | 34 |
1 files changed, 15 insertions, 19 deletions
diff --git a/_posts/2012-09-11-development-vanilla-version.md b/_posts/2012-09-11-development-vanilla-version.md index e35a216..21923b0 100644 --- a/_posts/2012-09-11-development-vanilla-version.md +++ b/_posts/2012-09-11-development-vanilla-version.md @@ -55,12 +55,6 @@ Constrained by `lib` and `pc_type`: --data-urlencode "pc_type=geometrical" \ -X POST http://localhost:8082/compound/InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H/pc -As RDF/XML: - - curl -H "accept:application/rdf+xml" \ - --data-urlencode "pc_type=geometrical" \ - -X POST http://localhost:8082/compound/InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H/pc - Calculate dataset PC descriptors, constrained by `pc_type`: task=`curl \ @@ -69,12 +63,12 @@ Calculate dataset PC descriptors, constrained by `pc_type`: pc_fds=`get_result "$task"` echo "pc feature ds: $pc_fds" - <br> <br> <hr> <br> + Mine subgraphs. # bbrc feature ds @@ -87,25 +81,18 @@ Mine subgraphs. last_fds=`get_result "$task"` echo "last-pm feature ds: $last_fds" -Make Lazar models with substructural descriptors. +Make Lazar model with bbrc descriptors. # create lazar m w/ bbrc task=`curl -X POST \ --data-urlencode "dataset_uri=$ds" \ + --data-urlencode "feature_dataset_uri=$bbrc_fds" \ --data-urlencode "feature_generation_uri=$lh:8081/algorithm/fminer/bbrc" \ $lh:8081/algorithm/lazar` lazar_m_bbrc=`get_result "$task"` echo "Hamster model with bbrc: $lazar_m_bbrc" - # create lazar m w/ last-pm - task=`curl -X POST \ - --data-urlencode "dataset_uri=$ds" \ - --data-urlencode "feature_generation_uri=$lh:8081/algorithm/fminer/last" \ - $lh:8081/algorithm/lazar` - lazar_m_last=`get_result "$task"` - echo "Hamster model with last-pm: $lazar_m_last" - -Make Lazar models with pc descriptors. +Make Lazar model with pc descriptors. # create lazar m w/ bbrc task=`curl -X POST \ @@ -118,8 +105,13 @@ Make Lazar models with pc descriptors. Feature dataset generated on-the-fly when `feature_dataset_uri` omitted. +<br> +<br> +<hr> +<br> -Make predictions with BBRC (LAST-PM would also work). + +Make predictions with BBRC. # make benzene prediction w/ lazar m w/ bbrc task=`curl -X POST \ @@ -129,14 +121,18 @@ Make predictions with BBRC (LAST-PM would also work). echo "Benzene prediction with bbrc model: $lazar_p_bbrc" +Make predictions with PC. + # make benzene prediction w/ lazar m w/ pc task=`curl -X POST \ --data-urlencode "compound_uri=$lh:8082/compound/InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" \ $lazar_m_pc` - lazar_p_bbrc=`get_result "$task"` + lazar_p_pc=`get_result "$task"` echo "Benzene prediction with pc model: $lazar_p_pc" +Make a database prediction + # make a database prediction task=`curl -X POST \ --data-urlencode "compound_uri=$lh:8082/compound/InChI=1S/C12H12N2O3/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h3-7H,2H2,1H3,(H2,13,14,15,16,17)" \ |