MUMBAI, India, May 1 -- Intellectual Property India has published a patent application (202611026381 A) filed by CT University, Ludhiana, Punjab, on March 6, for 'ai system for reagent prediction based on synthetic scheme & mechanistic pathway modeling.'
Inventor(s) include Dr. Nitin Tandon; Dr. Satvir Singh; Rupinder Kaur Grewal; Dr. Vaneet Kumar; and Karuna.
The application for the patent was published on May 1, under issue no. 18/2026.
According to the abstract released by the Intellectual Property India: "An artificial intelligence based reagent prediction and optimization system for multi-step chemical synthesis is disclosed comprising a Synthetic Scheme Input Interface (101), a Transformation Identification Engine (102), a Reaction Mechanism Signature Generator (103), a Reagent Knowledge Graph Repository (104), an AI Reagent Matching & Prediction Engine (105), a Side Reaction & Impurity Prediction Module (106), and an Optimization & Output Generation Module (107). The system receives synthetic transformation data, generates a Reaction Mechanism Signature based on bond change, hetero atom involvement, steric and electronic analysis, maps the signature with reagent mechanistic profiles stored in a reagent knowledge graph, predicts optimal and alternative reagents, models side reactions and impurity probabilities, evaluates cross-step compatibility, recommends protecting groups, and produces optimized reaction conditions including solvent, pH, temperature, catalyst loading, yield range, safety alerts and green chemistry score."
Disclaimer: Curated by HT Syndication.
