Biodegradability
This is an older data set of chemical structures containing 328 compounds labeled by their half-life for aerobic aqueous biodegradation (a regression task).
Original source: web.archive.org (BibTeX)
Versions
Biodegradability (by Paolo Frasconi)
Dataset details
- Associated task:
- Regression
- Domain:
- Medicine
- Data types:
- Size:
- 3.3 MB
- Count of tables:
- 5
- Count of rows:
- 21,875
- Count of columns:
- 14
- Missing values:
- No
- Compound keys:
- No
- Loops:
- Yes
- Type:
- Real
- Instance count:
- 328
- Target table:
- molecule
- Target column:
- activity
- Target ID:
- molecule_id
- Target timestamp:
- ?
How to download the dataset
The datasets are publicly available directly from MariaDB database.
- Open your favourite MariaDB client (MySQL Workbench works, but see FAQ)
- Use following credentials:
- hostname: db.relational-data.org
- port: 3306
- username: guest
- password: relational
- Export "Biodegradability" database (or other version of the dataset, if available) in your favourite format (e.g. CSV or SQL dump).