Databases

57 databases containing 84 291 chemicals with almost 2.5 million measured data points are implemented in QSAR Toolbox 4.3.

apple computer desk 18104 1024x593 - Databases

The databases are grouped in four categories based on the type of information they are providing:

  • physical chemical properties:
    48,485 substances and 204,151 experimental values
    .
  • environmental fate and transport:
    11,557 substances and 127,560 endpoint values
    .
  • ecotoxicological information:
    19,842 substances and 1,029,830 endpoint values
    .
  • human health hazards:
    39,130 substances and 1,038,214 endpoint values
    .

The databases and the main type of metadata they contain are shown in the table below.

The databases and the main type of metadata they contain are shown in the table below.

Physical-Chemical Properties

The endpoints under each category and the databases that contain experimental data for each endpoint are shown in the table below.

Environmental Fate and Transport

Ecotoxicological Information

Distribution Modelling

Human Health Hazard