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authorAndreas Maunz <andreas@maunz.de>2012-10-11 14:39:34 +0200
committerAndreas Maunz <andreas@maunz.de>2012-10-11 14:39:34 +0200
commit8edcde1793f0dc523895df056def0f456364943a (patch)
treec3be70180ba3fb1e1f125c5ed958f0271706cf0a
parent908657fc24dfcfe4d077ff0a671cccaef88e3ca0 (diff)
Reduced
-rw-r--r--_posts/2012-09-11-development-vanilla-version.md34
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)" \