Real-world applications of CHEESE technology in drug discovery and cheminformatics.
How CHEESE electrostatic embeddings prospectively identified the most active neurosteroid among six candidates—later confirmed as a potent GABAA receptor modulator with in vivo analgesic efficacy.
From single molecules into millions of relevant compounds in a matter of seconds
How CHEESE shape embeddings achieved a 67% hit rate and 1st place in the 9ADD Challenge, outperforming classical Morgan fingerprint-based approaches.
