Calculators performance reports

This page collects performance reports of the Calculator Plugins. The reports provide up-to-date information on the performance of the Calculators. You can find the main reports page here.

  • Old validation results

  • Performance report of the pKa Predictor tested on an AstraZeneca set of strongest basic pKa values

  • Performance report of the Solubility Predictor on the full and a filtered subset (multi-component, charged molecules and structures containing rare elements were eliminated) of the HongPing Zhao’s solubility dataset