3.4B-compound space via automated small molecule synthesis and AI [pdf] (www.onepot.ai)

Onepot CORE has launched an innovative enumerated chemical space featuring 3.4 billion small molecules, significantly enhancing the drug discovery process. This platform combines automated small molecule synthesis with an AI chemist named Phil, who is capable of designing, executing, and analyzing chemical experiments. The key to this system is its ability to streamline the notoriously slow and costly "make" step of drug discovery, potentially reducing synthesis times to as little as five business days, which is a substantial improvement over existing methods that often take weeks. The significance of Onepot CORE lies in its contribution to democratizing access to diverse small molecules, facilitating accelerated pharmaceutical discoveries and other applications. By utilizing a set of seven widely-used reactions and advanced machine learning for feasibility assessments, the platform effectively eliminates the manual bottlenecks associated with conventional synthesis methods. The automated workflow not only optimizes compound selection and experimentation but also ensures high purity and identity confirmation of the synthesized compounds. This holistic approach heralds a new era in drug discovery, combining AI and automation to revolutionize how researchers generate and evaluate new chemical entities.