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.
We’re kicking off the launch of AlphaSynthesis with the release of CLEAN, Molli, and ChemScraper. We hope you find them useful, and we welcome your feedback!
AI Tools
CLEAN
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.
Molli
You want to generate and explore an in silico library from sets of cores and substituents.
ChemScraper
You have a PDF (article, book chapter, etc.) containing chemical diagrams, and you’re looking to extract the chemical structures.