Swiss ADME - patrickchirdon/AIdrugdiscovery GitHub Wiki

http://www.swissadme.ch/

Swiss ADME predicts physiochemical properties, lipophilicity, water solubility, pharmacokinetics, druglikeness, and medicinal chemistry properties.

Druglikeness-- Probability of being an oral drug -Lipinski rule of 5 -Ghose -Verber -Egan -Muegge -Abbott bioavailability score -consensus score

Water Solubility- High solubility is desirable for proper adsorption -ESOL -CLogP -Log S

Pharmacokinetics- -GI adsorption - 88% predictive -Blood Brain Barrier Permeability- 92% predictive -skin permeability coefficient ~80% predictive -cytochrome inhibitor 72% predictive -permeability glycoprotein substrate or non substrate

Leadlikeness-suitable for optimization or not Synthetic Accessibility 1- very easy, 10-very difficult, based on the number of fragments from easily synthesizable compounds