This practical tutorial for ADMET Predictor® 12 focuses on the software’s powerful cheminformatics engine. The session begins with a workflow for explicit substructure searching, demonstrating how to use MetChem Designer to sketch queries like pyridine rings and apply them across datasets of 10,000+ compounds. You will also learn to annotate your results by adding custom compound attributes and using keyboard shortcuts like Ctrl+Q for queries and Ctrl+I for selection inversion. The second half of the video dives into Markush searching, showing how to create generic structure queries that account for multiple atom types—such as searching for three-membered rings including cyclopropanes, epoxides, and aziridines simultaneously. Finally, see how to visualize these chemical distributions using the built-in charting tools.