Predicted everywhere, measured where it counts

Drug discovery sample notebook on Scigantic.

Screen 122 million PubChem compounds in one query, then ask a real lab dataset how much to trust it.

Figure: Density of 122 million PubChem compounds in molecular weight versus logP space, with the Lipinski rule-of-five window outlined in red

Run it yourself

This sample opens as a hosted JupyterLab notebook with its datasets already mounted, so nothing has to be downloaded first. The notebook arrives with its outputs already rendered, and an AI assistant in the notebook can explain each step or change the analysis. Open the sample or browse the full catalog.