Accelerating New Drug Discovery

Dolphin AI is an open-source similarity search engine designed to handle massive-scale feature vectors. It can be used in conjunction with RDKit, a chemoinformatics software suite, for high-performance chemical structure similarity searches. The system generates Morgan fingerprints using RDKit and then imports them into Milvus to build a chemical structure database. With different chemical fingerprints, Milvus can perform substructure search, similarity search, and exact search. This approach is faster and more efficient than traditional methods for discovering potentially available compounds in drug discovery research.