AlphaSynthesis
Platform to design molecules, plan synthesis routes, and optimize chemical processes.
AlphaSynthesis is MMLI's browser-based platform that bundles ten AI tools for molecular discovery and synthesis into a single, easy-to-use interface, designed so that researchers who aren't expert chemists can plan and carry out molecular work.
The tools are organized around four stages.
For discovery, ChemScraper and ReactionMiner extract chemical structures, formulas, and reaction conditions directly from PDF research papers, turning published literature into usable data.
For design, ACERetro and novoStoic plan synthesis routes to a target molecule, including chemoenzymatic retrosynthesis and biosynthetic pathways with enzyme selection and thermodynamic feasibility.
For prediction, CLEAN, CLEAN DB, EZSpecificity, and Open Enzyme DB predict enzyme functions and substrate specificity from sequences and provide searchable enzyme datasets to support protein engineering.
For optimization, Molli generates and explores virtual molecule libraries, and Somn predicts the best reaction conditions for C-N coupling.
Each tool is a live web app with tutorials, and several offer scriptable toolkits, making AlphaSynthesis a self-serve resource for going from literature to designed molecules to optimized reactions.
