Databases
59 databases containing ~100 000 chemicals with above 3 million measured data points are available in QSAR Toolbox 4.5.
The databases are grouped in four categories based on the type of information they are providing:
- physical chemical properties:
50 642 substances and 239 949 experimental values
. - environmental fate and transport:
15 356 substances and 171 861 endpoint values
. - ecotoxicological information:
23 137 substances and 1 349 467 endpoint values
. - human health hazards:
45 904 substances and 1 263 995 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.