Supporting AI-guided synthesis planning, catalyst discovery, process optimization, and closed loop discovery science.

AlphaSynthesis is a platform of click-and-go tools with a user-friendly interface containing tutorials and example data. Everything you need to support your work leveraging AI to answer unsolved chemistry problems.

AI Tools

PETase enzymes break down PET molecules into monomeric building blocks


Contrastive Learning enabled Enzyme ANnotation

You have an enzyme sequence, and you’re looking to assign an Enzyme Commission (EC) number to the enzyme.

This machine learning algorithm, termed CLEAN, was trained on high-quality data from UniProt, taking amino acid sequence as input and outputting a list of EC numbers ranked by the likelihood.


You want to generate and explore an in silico library from sets of cores and substituents. 


You have a PDF (article, book chapter, etc.) containing chemical diagrams, and you’re looking to extract the chemical structures.

Latest Advancements


You have a reactant pair for a C-N coupling for which you want to determine useful substrate-adaptive conditions (i.e., catalyst, base, solvent) for the reaction.


You want to search and design biosynthetic pathways with options for evaluating thermodynamic feasibility, and selection of enzymes for bioengineering of novel reactions and pathways.

4 Tools into 1:

  • Overall Stoichiometry
  • Pathway Search
  • Gibbs Energy Predictor
  • Enzyme Activity