Minimum Requirements

These are minimum requirements for OpenTox components. Please add an entry, if you miss essential functionality (i.e functions that should be provided by all components of a category). Most use cases will require additional functionalities; please request them directly from the component developers (or issue a feature request).

Prediction

create model not applicable in all cases (e.g. expert systems), but required for validation

  Input training structures, training activities

  Output prediction model

predict

  Input  chemical structure, prediction model

  Output prediction, confidence, [supporting information]

Descriptor calculation

calculate

  Input chemical structure, property

  Output descriptor[s]

Data access

create

  Input new data

update

  Input modified data

query

  Input chemical structure, endpoint

  Output experimental measurement[s]

delete

  Input ID

Validation

validate

  Input prediction_model, validation_method

  Output validation statistics, [supporting information]

Report generation

create report

  Input data, report type

  Output report

Sections