Conference cum Workshop on
Pharmacoinformatics: Toxicity & Metabolism
Day 1 (March 11, 2026)
08:30 – 09:30 Registration
09:30 – 10:00 Inauguration
10:00 – 10:30 Dr. Debasisa Mohanty Keynote Address: Leveraging the LLMs for bridging
Director, NII, New Delhi the gap between computational prediction and
experimental validation in biomedical sciences
10:30 – 11:00 High Tea
11:00 – 11:30 Dr. Andrew Lynn Integrated Assembly-Free Framework for Strain-Level
Professor, JNU, New Delhi Mapping and Metabolic Network Profiling
11:30 – 12:00 Dr. Prabha Garg Explainable Graph Neural Network based approaches
Professor, NIPER Mohali for Cardiotoxicity Prediction
12:00 – 12:30 Dr. Richi Mahajan From Information to Innovation: Building India's
Scientist 'D', Department Integrated Bioinformatics Ecosystem
of Biotechnology, GoI
12:30 – 13:00 Dr. Manoj Kumar AI/ML-Driven Pharmacoinformatics Platforms for
Professor, NIPER Mohali Toxicology, Metabolism and ADMET Prediction
13:00 - 13:30 Dr. Rajnish Kumar A Web-Based Interpretable Framework for Early
Associate Professor, IIT Toxicity Prediction in Drug Discovery
BHU, Varanasi
13:30 – 14:30 Lunch
14:30 – 15:00 Dr. Neha Tripathi From Peptide Corona Formation to Neurotoxicity:
Genoscope - Centre Molecular Mechanisms of Polyethylene Nanoplastic–
National de Séquençage, Protein Interactions
France (online)
15:00 – 15:30 Dr. Prakash Rathi/ Augmenting drug discovery with predictive and agentic
Dr. Gian Marco Ghiandoni AI
AstraZeneca (online)
15:30 – 16:00 Tea
16:00 – 16:30 Dr. Vaibhav Dixit Drug metabolism and covalent binding predictions
Assistant Professor, using accessibility and reactivity approach
NIPER Guwahati (online)
16:30 – 17:00 Dr. Sujit Tangadpalliwar AI-Driven Mechanistic Toxicology: From Organ
Co-founder @ Biolligence Toxicity to Population-Scale Clinical Safety Prediction
19:00 – 21:30 Dinner
Conference cum Workshop on
Pharmacoinformatics: Toxicity & Metabolism
Day 2 (March 12, 2026)
09:00 – 09:30 Breakfast
09:30 – 10:00 Dr. P.V. Bharatam Pharmacoinformatics in Metabolism and Toxicity
Professor, NIPER Mohali
10:00 – 10:30 Dr. Ramakrishnan Quantum Toxicology: De-Risking Paradigm for
Parthasarathi Predictive Chemical Risk Assessment
CSIR-HRDG, New Delhi
10:30 – 11:00 Dr. M.E. Sobhia Rational Drug Design and AI in Addressing Toxicity in
Professor, NIPER Mohali Drug Discovery
11:00 – 11:30 Tea
11:30 – 12:00 Dr. Shashi Bhushan Pandit Substrate promiscuity of enzymes as a continuum of
Associate Professor, IISER substrate preferences
Mohali
12:00 – 12:30 Dr. Rajendra Kumar Pushing the boundary of chemistry search –
Associate Professor, development of ultrafast yet accurate compound
NIPER Mohali similarity search algorithm
12:30 – 13:00 Dr. Monika Sharma Computational Design and Structural Analysis of
Associate Professor, Peptide Modulators for the Ferroportin-Hepcidin
Plaksha University, Mohali Regulatory Axis
13:00 – 13:30 Dr. Om Silakari Toxicoinformatics: Advancing Drug and Chemical
Professor, Punjabi Safety through Computational Approaches
University, Patiala
13:30 – 14:30 Lunch
14:30 – 16:00 Poster Session
16:00 – 16:30 Tea
16:30 – 17:00 Valedictory
19:00 – 21:30 Dinner
Conference cum Workshop on
Pharmacoinformatics: Toxicity & Metabolism
Day 3 (March 13, 2026)
09:00 – 09:30 Breakfast
09:30 – 13:00 Workshop