Abstract: Systems, methods and non-transitory computer-readable media identify a candidate biological sequence for enabling a function in a host cell. Embodiments access a predictive model that associates a plurality of biological sequences, such as enzymes, with one or more functions, such as reaction catalysis; predict, using the predictive model, that one or more candidate sequences of the plurality of biological sequences enable a desired function; and classify using a processor, candidate sequences that satisfy a confidence threshold as filtered candidate sequences.

Abstract: Systems, methods and computer-readable media are provided to predict properties of a material that is related to a bioreachable molecule by generating a chemical model of the material based on physicochemical properties and predicting properties of the material based at least in part upon the chemical model and correlative modeling. The material may comprise in its chemical structure one or more instances of the bioreachable molecule. The material may comprise in its chemical structure the bioreachable molecule or at least one semi-synthetic molecule derived from the bioreachable molecule, or a combination thereof.

Abstract: Systems and methods for predicting the viability of producing target molecules in a host organism are provided. A starting metabolite set for the host and a reaction set are obtained. Included in a filtered reaction set are reactions that are indicated as catalyzed by one or more corresponding catalysts that are themselves indicated as likely available to catalyze the reactions in the host organism. In each processing step, pursuant to the reactions of the filtered reaction set, data representing the starting metabolites and metabolites generated in previous processing steps is processed, to generate data representing one or more viable target molecules.