Bursi AMES Toxicity Dataset

Metadata

• Use an OpenTox algorithm of type Applicability domain, which calculates similarity to a dataset. The algorithm accepts the Dataset to compare with via HTTP POST command

   curl -X POST http://HOST:port/ambit2/algorithm/thealgorithm -d "dataset_uri=the-dataset" -i
  

  and builds an OpenTox http://HOST:port/ambit2/model/mymodel

• The model can be used to calculate similarity of any new compound/dataset to the Dataset to compare with via POST command to the model:

   curl -X POST http://HOST:port/ambit2/model/mymodel -d "dataset_uri=any-dataset" -i
  

Results

The cURL command returns URI of an OpenTox dataset with predictions. The results are stored under model predicted variables (as for any OpenTox model),

A histogram of the Tanimoto distances

A histogram of the Tanimoto distances of ECHA Preregistration list

A histogram of the Tanimoto distances of PubChem

A histogram of the Tanimoto distances of NTPBSI dataset

A histogram of the Tanimoto distances of Benchmark Data Set for In Silico Prediction of Ames Mutagenicity dataset

A histogram of the Tanimoto distances of EPI_Kowwin dataset

A histogram of the Tanimoto distances of ISSCAN dataset

A histogram of the Tanimoto distances of CPDBAS dataset

A histogram of the Tanimoto distances of FDAMDD dataset

A histogram of the Tanimoto distances of TOXCAST Phase II dataset

A histogram of the Tanimoto distances of TOXCAST Phase I dataset

A histogram of the Tanimoto distances of IRISTR dataset

A histogram of the Tanimoto distances of EPAFHM dataset

A histogram of the Tanimoto distances of DBPCAN dataset