Macs in Chemistry

Insanely Great Science

1st EUOS/SLAS Joint Challenge: Compound Solubility

The latest kaggle challenge is up.

Develop new methods to predict compound solubility based on chemical structure.

EU-OPENSCREEN ERIC and SLAS challenge you to develop a reliable algorithm that can predict the solubility of a small molecule, an essential feature of all biologically active compounds. EU-OPENSCREEN ERIC provides a high-quality data set of experimentally measured aqueous solubility of about 100,000 small molecules which was produced at an EU-OPENSCREEN ERIC high throughput screening partner site. 70,000 of these molecules will be available for download on Kaggle, and the residual 30,000 compounds will be withheld for prediction.

Full details are here

blog comments powered by Disqus