Chemoenzymatic multistep retrosynthesis with transformer loops
David Kreutter, Jean‐Louis Reymond
Abstract
a forward transformer (T3). TTLAB combines predictions from both TTLs to explore multistep sequences using a heuristic best-first tree search and propose short routes from commercial building blocks including enantioselective biocatalytic steps. TTLAB can be used to assist chemoenzymatic route design.
Topics & Concepts
Retrosynthetic analysisTransformerChemistryComputer scienceEngineeringStereochemistryElectrical engineeringVoltageTotal synthesisEnzyme Catalysis and ImmobilizationMicrobial Metabolic Engineering and BioproductionBiofuel production and bioconversion