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Explore uncharted chemical space

Chemistry42 is an automated machine learning platform for drug design capable of finding novel lead-like molecules in a week
Automated de-novo drug design
Operate beyond existing screening libraries and skip the effort of scaffold search and structure optimization. Chemistry42 is a fully-automated machine learning platform that delivers new lead-like structures in a week
Scalable engineering platform
Chemistry42 is a seamlessly scalable distributed platform than can be can be deployed in cloud and on-premise environments with predictable hardware-agnostic workload management
extensive experience in artificial intelligence AND MEDICINAL CHEMISTRY
3 Simple steps to get
Actionable lead-like molecules
Artificial intelligence can design novel molecules for any available target structure or small molecule ligand, creating and testing novel scaffolds across the desired properties and optimizing binding affinity
Drug Design
Define rewarding and penalty rules for molecule shape, chemical complexity, synthetic accessibility, metabolic stability, and other properties the novel molecules must satisfy
Guide the generation
Every new compound generated is annotated with all the properties, including physico-chemical parameters, binding scores, drug-likeness features and mapped on vendors' catalogs and proprietary libraries for any similarity and novelty
Molecular annotation