Currently cheminee's substructure search can be a bit sluggish when searching among large indexes (e.g. 10+ seconds to search among 400,000+ compounds). This could be improved by incorporating scaffold-based indexing (i.e. each compound gets matched with scaffolds during the indexing step). This way, when a search is conducted, the search space will be significantly reduced via tantivy filtering.
Currently cheminee's substructure search can be a bit sluggish when searching among large indexes (e.g. 10+ seconds to search among 400,000+ compounds). This could be improved by incorporating scaffold-based indexing (i.e. each compound gets matched with scaffolds during the indexing step). This way, when a search is conducted, the search space will be significantly reduced via tantivy filtering.