Merck AIDDISON drug discovery software

Merck’s AIDDISON drug discovery software is a software-as-a-service platform that bridges the gap between virtual molecule design and real-world manufacturability through Synthia retrosynthesis software application programing interface (API) integration. The product combines generative AI, machine learning and computer-aided drug-design to speed up drug development.

To find the most suitable chemical compound from a universe of more than 1060 molecules requires significant time, resources and expertise. AI and machine learning models like AIDDISON can extract hidden insights from huge datasets, thus increasing the success rate of delivering new therapies to patients.

Trained on more than two decades of experimentally validated datasets from pharmaceutical R&D, the software identifies compounds from over 60 billion possibilities that have key properties of a successful drug, such as non-toxicity, solubility and stability in the body. The platform then proposes ways to best synthesise these drugs.

The product is designed to enable any laboratory to count on generative AI to identify the most suitable drug-like candidates (including chemicals, reagents and building blocks) in a vast chemical space, and to provide the optimal synthesis route for the development of a target molecule in the most sustainable way possible.