- Expert Lecture at CSIR-CDRI Explores AI-Driven Chemical Reaction Design
- AI Meets Chemistry at CSIR-CDRI: Expert Lecture Highlights Generative AI in Chemical Reaction Design
Lucknow: As part of the Innovation in Healthcare Series and the ongoing celebrations marking 75 years of CSIR, the CSIR–Central Drug Research Institute (CSIR-CDRI), Lucknow organized a special scientific lecture titled “Molecular Machine Learning and Generative-AI for Chemical Reactions”
The lecture was delivered by Prof. Raghavan B. Sunoj, Professor, Department of Chemistry, Indian Institute of Technology (IIT) Bombay, and Google Cloud Chair Professor for Generative-AI. In his address, Prof. Sunoj explained how recent advances in machine learning and generative artificial intelligence are reshaping the way chemical reactions are understood, analyzed, and designed.
He emphasized that traditional chemistry, when combined with data-driven AI models, can significantly enhance predictive accuracy and research efficiency.
Further elaborating on the theme, Prof. Sunoj discussed the crucial role of structure property reaction relationships, highlighting how molecular structure defined by atoms, bond connectivity, electronegativity, and hybridization determines chemical properties such as polarity, hydrophobicity, and reactivity. He demonstrated how AI-based models can effectively learn these complex relationships from large datasets, thereby enabling reliable prediction of reaction outcomes, mechanisms, and selectivity. The lecture also illustrated the growing importance of these approaches in drug discovery, catalyst development, and materials science, where AI can drastically reduce experimental time and cost.
The program was presided over by Dr. Radha Rangarajan, Director, CSIR-CDRI, Lucknow, who in her presidential remarks highlighted the increasing relevance of artificial intelligence in chemical and pharmaceutical research. She noted that interdisciplinary integration of AI with core sciences is essential for driving future healthcare innovations and aligns strongly with CSIR-CDRI’s research mandate.
The introduction of the speaker was delivered by Dr. Aravind K. Kshatri, who outlined Prof. Sunoj’s notable contributions to computational chemistry, reaction mechanism studies, and machine intelligence. Following the lecture, an interactive discussion session was held, during which scientists, researchers, and students engaged with the speaker on emerging challenges and opportunities in AI-driven molecular research.
The lecture concluded with the felicitation of Prof. Sunoj by Dr. Radha Rangarajan, while the vote of thanks was proposed by Dr. Prem Prakash Yadav. The event witnessed enthusiastic participation from faculty members, researchers, scholars, and students of the institute and was widely appreciated for its scientific depth and clarity.
Overall, the lecture effectively highlighted the transformative role of molecular machine learning and generative AI in advancing chemical sciences and healthcare research, reaffirming CSIR-CDRI’s commitment to promoting cutting-edge scientific dialogue and innovation.
