Key words: medicinal chemistry, chemical synthesis, reaction mechanism, quantum chemistry, data sciences, drug discovery, augmented intelligence, cheminformatics, lead optimization  Context  Within the Discovery Technology and Molecular Pharmacology (DTMP) within Discovery Sciences (DS) group, we provide sophisticated technology support to drug discovery projects in Janssen, the In Silico Discovery & External Innovation department is responsible for data analyticsAI integration of chemical synthesis data and application to small molecule programs and new chemical synthesis explorations