MUMBAI, India, Nov. 2 -- Intellectual Property India has published a patent application (202641124883 A) filed by Indian Institute Of Technology Madras Iit Madras on October 19, 2026, for Computer-Implemented System And Method For Generating Ionic Drug Conjugate Candidates.
Inventors include Sanjib Senapati; Aadit Mahajan; and Sudipta Nandi.
The application for the patent was published on October 30, 2026, under issue no. 44/2026.
Abstract: ABSTRACT COMPUTER-IMPLEMENTED SYSTEM AND METHOD FOR GENERATING IONIC DRUG CONJUGATE CANDIDATES The present disclosure provides a computer-implemented system and 5 method for generating ionic drug conjugate candidates. A processor receives an active pharmaceutical ingredient ion and counterion molecular representations, generates an initial counterion population, and evaluates solubility, toxicity and electronic charge-delocalization objectives. Molecular embeddings support predictive solubility and toxicity models, while quantum-chemical atomic partial 10 charges support a participation-ratio metric for a charge-connected conjugated subgraph. Evolutionary operations modify and recombine molecular representations, and Pareto-based selection identifies a non- dominated candidate set. Structural and molecular feasibility constraints filter generated candidates. Post-processing removes duplicates and selects structurally diverse 15 representatives using molecular fingerprints and clustering. The output comprises candidate counterions associated with the active pharmaceutical ingredient ion for further investigation.
Disclaimer: Curated by HT Syndication.
