Databases

63 databases containing above 155 000 chemicals with almost 3.3 million measured data points are available in QSAR Toolbox 4.7.

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:
    60 429 substances and 253 419 experimental values
    .
  • environmental fate and transport:
    20 048 substances and 177 355 endpoint values
    .
  • ecotoxicological information:
    36 453 substances and 1 447 056 endpoint values
    .
  • human health hazards:
    68 608 substances and 1 409 936 endpoint values
  • .
  • Intermediate effects – mechanistic information:
    95 substances and 1 012 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

Human Health Hazard