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authorAndreas Maunz <andreas@maunz.de>2012-04-13 10:14:34 +0200
committerAndreas Maunz <andreas@maunz.de>2012-04-13 10:14:34 +0200
commit5b903438a6a003c233b6fab475c9742019174f93 (patch)
tree368425243b5745ec342f906c9ffe8d5613380810
parentdd02e2059261ce8433769528de8cadfebe964ba1 (diff)
Updated README
-rw-r--r--README.md208
1 files changed, 123 insertions, 85 deletions
diff --git a/README.md b/README.md
index df16dce..043f001 100644
--- a/README.md
+++ b/README.md
@@ -7,82 +7,100 @@ OpenTox Algorithm
- subgraph descriptor calculation (fminer)
- physico-chemical descriptor calculation (pc) for more than 300 descriptors
- feature selection (fs) using recursive feature elimination (rfe)
-- See http://opentox-ruby.maunz.de for high-level workflow documentation
+- See [opentox-ruby on maunz.de](http://opentox-ruby.maunz.de) for high-level workflow documentation
REST operations
---------------
-DESCRIPTION REST ADDRESS ARGUMENTS RETURN CODES
-
-Get a representation of the GET /lazar - lazar representation 200,404
-lazar algorithm
-
-Get a list of all algorithms GET / - URIs of algorithms 200
-Get a representation of the GET /fminer/ - fminer representation 200,404
-fminer algorithms
-Get a representation of the GET /fminer/bbrc - bbrc representation 200,404
-bbrc algorithm
-Get a representation of the GET /fminer/last - last representation 200,404
-last algorithm
-
-Get a representation of the GET /pc - URIs of algorithms 200,404
-pc algorithms
-Get a representation of the GET /pc/<name> - descriptor representation 200,404
-pc algorithm <name>
-
-Get a representation of the GET /fs - fs representation 200,404
-fs algorithms
-Get a representation of the GET /fs/rfe - rfe representation 200,404
-rfe algorithm
-
-Create lazar model POST /lazar dataset_uri, URI for lazar model 200,400,404,500
- [prediction_feature],
- [feature_generation_uri],
- [feature_dataset_uri],
- [prediction_algorithm],
- [pc_type=null],
- [lib=null],
- [nr_hits=false (cl.wmv),
- true (else)],
- [min_sim=0.3 (nominal), 0.4
- (numeric features)],
- [min_train_performance=0.1]
-
-Create bbrc features POST /fminer/bbrc dataset_uri, URI for feature dataset 200,400,404,500
- prediction_feature,
- [min_frequency=5 per-mil],
- [feature_type=trees],
- [backbone=true],
- [min_chisq_significance=0.95],
- [nr_hits=false]
-Create last features POST /fminer/last dataset_uri, URI for feature dataset 200,400,404,500
- prediction_feature,
- [min_frequency=8 %],
- [feature_type=trees],
- [nr_hits=false]
-
-Create features POST /pc/AllDescriptors dataset_uri, URI for dataset 200,400,404,500
- [pc_type=constitutional,
- topological,geometrical,
- electronic,cpsa,hybrid],
- [lib=cdk,joelib,openbabel]
-
-Create feature POST /pc/<name> dataset_uri URI for dataset 200,400,404,500
-
-Select features POST /fs/rfe dataset_uri, URI for dataset 200,400,404,500
- prediction_feature,
- feature_dataset_uri,
- [del_missing=false]
+ DESCRIPTION TYPE ADDRESS ARGUMENTS RETURN TYPE RETURN CODE
+ Get a representation of the GET /lazar - lazar representation 200,404
+ lazar algorithm
+ Get a list of all algorithms GET / - URIs of algorithms 200
+ Get a representation of the GET /fminer/ - fminer representation 200,404
+ fminer algorithms
+ Get a representation of the GET /fminer/bbrc - bbrc representation 200,404
+ bbrc algorithm
+ Get a representation of the GET /fminer/last - last representation 200,404
+ last algorithm
+ Get a representation of the GET /pc - URIs of algorithms 200,404
+ pc algorithms
+ Get a representation of the GET /pc/<name> - descriptor representation 200,404
+ pc algorithm <name>
+ Get a representation of the GET /fs - URIs of algorithms 200,404
+ fs algorithms
+ Get a representation of the GET /fs/rfe - rfe representation 200,404
+ rfe algorithm
+ Create lazar model POST /lazar dataset_uri, URI for lazar model 200,400,404,500
+ [prediction_feature],
+ [feature_generation_uri],
+ [feature_dataset_uri],
+ [prediction_algorithm],
+ [pc_type=null],
+ [lib=null],
+ [nr_hits=false (cl+wmv),
+ true (else)],
+ [min_sim=0.3 (nominal), 0.4
+ (numeric features)],
+ [min_train_performance=0.1]
+ Create bbrc features POST /fminer/bbrc dataset_uri, URI for feature dataset 200,400,404,500
+ prediction_feature,
+ [min_frequency=5 per-mil],
+ [feature_type=trees],
+ [backbone=true],
+ [min_chisq_significance=0.95],
+ [nr_hits=false]
+ Create last features POST /fminer/last dataset_uri, URI for feature dataset 200,400,404,500
+ prediction_feature,
+ [min_frequency=8 %],
+ [feature_type=trees],
+ [nr_hits=false]
+ Create features POST /pc/AllDescriptors dataset_uri, URI for dataset 200,400,404,500
+ [pc_type=constitutional,
+ topological,geometrical,
+ electronic,cpsa,hybrid],
+ [lib=cdk,joelib,openbabel]
+ Create feature POST /pc/<name> dataset_uri URI for dataset 200,400,404,500
+ Select features POST /fs/rfe dataset_uri, URI for dataset 200,400,404,500
+ prediction_feature,
+ feature_dataset_uri,
+ [del_missing=false]
+
Synopsis
--------
-- prediction\_algorithm: One of "weighted\_majority\_vote" (default for classification), "local\_svm\_classification", "local\_svm\_regression" (default for regression). "weighted\_majority\_vote" is not applicable for regression.
-- pc_type: Mandatory for feature datasets that do not contain appropriate feature metadata, one of [geometrical, topological, electronic, constitutional, hybrid, cpsa].
-- lib: Mandatory for feature datasets that do not contain appropriate feature metadata, one of [cdk, openbabel, joelib].
-- nr_hits: Whether nominal features should be instantiated with their occurrence counts in the instances. One of "true", "false".
-- min_sim: The minimum similarity threshold for neighbors. Numeric value in [0,1].
-- min_train_performance. The minimum training performance for "local\_svm\_classification" (Accuracy) and "local\_svm\_regression" (R-squared). Numeric value in [0,1].
-- del_missing: one of true, false
+- *del_missing*: one of
+ - *true*
+ - *false*
+
+- *feature\_type*: Type of subgraphs when no feature dataset is supplied, one of
+ - *trees*
+ - *paths*
+
+- *lib*: Mandatory for feature datasets that do not contain appropriate feature metadata, one of
+ - *cdk*
+ - *openbabel*
+ - *joelib*
+
+- *min_sim*: The minimum similarity threshold for neighbors. Numeric value in [0,1].
+
+- *min_train_performance*. The minimum training performance for *local\_svm\_classification* (Accuracy) and *local\_svm\_regression* (R-squared). Numeric value in [0,1].
+
+- *nr_hits*: Whether nominal features should be instantiated with their occurrence counts in the instances. One of
+ - *true*
+ - *false*
+
+- *pc_type*: Mandatory for feature datasets that do not contain appropriate feature metadata, one of
+ - *geometrical*
+ - *topological*
+ - *electronic*
+ - *constitutional*
+ - *hybrid*
+ - *cpsa*
+
+- *prediction\_algorithm*: One of
+ - *weighted\_majority\_vote* (default for classification, n.a. for regression)
+ - *local\_svm\_classification*
+ - *local\_svm\_regression* (default for regression).
Supported MIME formats
@@ -96,17 +114,39 @@ Examples
NOTE: http://webservices.in-silico.ch hosts the stable version that might not have complete functionality yet. **Please try http://ot-test.in-silico.ch** for latest versions.
+### Get the OWL-DL representation of lazar
+
+ curl http://webservices.in-silico.ch/algorithm/lazar
+
### Get the OWL-DL representation of fminer
curl http://webservices.in-silico.ch/algorithm/fminer
-### Get the OWL-DL representation of lazar
+### Get the OWL-DL representation of pc
- curl http://webservices.in-silico.ch/algorithm/lazar
+ curl http://webservices.in-silico.ch/algorithm/pc
+
+### Get the OWL-DL representation of fs
+
+ curl http://webservices.in-silico.ch/algorithm/fs
* * *
-The following creates datasets with backbone refinement class representatives or latent structure patterns, using supervised graph mining, see http://cs.maunz.de. These features can be used e.g. as structural alerts, as descriptors (fingerprints) for prediction models or for similarity calculations.
+### Create lazar model
+
+Creates a standard Lazar model with subgraph descriptors.
+
+ curl -X POST -d dataset_uri={datset_uri} -d prediction_feature={feature_uri} -d feature_generation_uri=http://webservices.in-silico.ch/algorithm/fminer/bbrc http://webservices.in-silico.ch/test/algorithm/lazar
+
+Creates a Lazar model with physico-chemical descriptors.
+
+ curl -X POST -d dataset_uri={datset_uri} -d prediction_feature={feature_uri} -d feature_dataset_uri={feature_dataset_uri} http://webservices.in-silico.ch/test/algorithm/lazar
+
+feature_uri specifies the dependent variable from the dataset.
+
+* * *
+
+Creates subgraph descriptors with backbone refinement class representatives or latent structure patterns, using supervised graph mining, see http://cs.maunz.de. These features can be used e.g. as structural alerts, as descriptors (fingerprints) for prediction models or for similarity calculations.
### Create the full set of frequent and significant subtrees
@@ -121,7 +161,7 @@ backbone=false reduces BBRC mining to frequent and correlated subtree mining (mu
feature_uri specifies the dependent variable from the dataset.
Adding -d nr_hits=true produces frequency counts per pattern and molecule.
-Please click [here](http://bbrc.maunz.de#usage) for more guidance on usage.
+Click [here](http://bbrc.maunz.de#usage) for more guidance on usage.
### Create [LAST-PM](http://last-pm.maunz.de) descriptors, recommended for small to medium-sized datasets.
@@ -129,28 +169,26 @@ Please click [here](http://bbrc.maunz.de#usage) for more guidance on usage.
feature_uri specifies the dependent variable from the dataset.
Adding -d nr_hits=true produces frequency counts per pattern and molecule.
-Please click [here](http://last-pm.maunz.de#usage) for guidance for more guidance on usage.
+Click [here](http://last-pm.maunz.de#usage) for guidance for more guidance on usage.
-* * *
-### Create lazar model
+* * *
-Creates a standard Lazar model.
+### Create a feature dataset of physico-chemical descriptors with CDK
- curl -X POST -d dataset_uri={datset_uri} -d prediction_feature={feature_uri} -d feature_generation_uri=http://webservices.in-silico.ch/algorithm/fminer/bbrc http://webservices.in-silico.ch/test/algorithm/lazar
+ curl -X POST -d dataset_uri={dataset_uri} -d lib=cdk http://webservices.in-silico.ch/test/algorithm/pc/AllDescriptors
-[API documentation](http://rdoc.info/github/opentox/algorithm)
---------------------------------------------------------------
+lib specifies the library to use.
* * *
-### Create a feature dataset of physico-chemical descriptors with CDK
- curl -X POST -d dataset_uri={dataset_uri} -d lib=cdk http://webservices.in-silico.ch/test/algorithm/pc/AllDescriptors
+### Select features from a feature dataset
-* * *
+ curl -X POST -d dataset_uri={dataset_uri} -d prediction_feature={feature_uri} -d feature_dataset_uri={feature_dataset_uri} http://webservices.in-silico.ch/test/algorithm/fs/rfe
-### Select features from a feature dataset
- curl -X POST -d dataset_uri={dataset_uri} -d prediction_feature_uri={prediction_feature_uri} -d feature_dataset_uri={feature_dataset_uri} http://webservices.in-silico.ch/test/algorithm/fs/rfe
+feature_uri specifies the dependent variable from the dataset.
+* * *
Copyright (c) 2009-2011 Christoph Helma, Martin Guetlein, Micha Rautenberg, Andreas Maunz, David Vorgrimmler, Denis Gebele. See LICENSE for details.
+