abstract |
Embodiments of a method and/or system (e.g., for metabolism-related prediction) can include: generating an enzyme dataset; generating a substrate dataset; generating a metabolism model such as for predicting an enzyme feature associated with metabolism of a query molecule, based on the enzyme dataset and/or the substrate dataset; determining a microorganism taxon (and/or microorganism taxa) S140 associated with the metabolism of the query molecule based on one or more predicted enzyme features of the metabolism model (e.g., machine learning model; etc.) and/or determining a query molecule score (e.g., drug score) for one or more users based on the microorganism taxon. |