Doctoral Researcher (DAAD Research Grant)
Sreerupa Mitra is a Computational Toxicologist working at the interface of cheminformatics, toxicology, and artificial intelligence. In October 2026, she joined Christoph Steinbeck’s group at Friedrich Schiller University Jena, Germany, to continue her doctoral research, funded by a DAAD Research Grant.
She began her PhD in October 2025 at Charité Universitätsmedizin Berlin, where she focused on interpretable deep learning models for predictive toxicology.
Before her PhD, she worked as a Junior Research Officer for New Approach Methodologies at the Jai Research Foundation (JRF) – India, from 2023-24, screening small molecules for toxicological endpoints with QSAR, read-across, and machine learning in line with OECD and ICH guidelines. From 2024-25, she was a Project Engineer at the Centre for Development of Advanced Computing (C-DAC) – Pune, developing a deep learning pipeline for the prediction of protein-protein interaction interfaces within India’s National Supercomputing Mission.
She holds an M.Sc. in Bioinformatics from Savitribai Phule Pune University (2023), supported by a studentship of the Department of Biotechnology of the Government of India, and a B.Sc. (Honours) in Physiology from the University of Calcutta (2021).
Publications:
Rudresh BR, Mitra S, Khan N. Machine learning-based 3D-QSAR models to predict the estrogen receptor binding activity of small molecules. In silico Research in Biomedicine 1 (2025). doi:10.1016/j.insi.2025.100014
Rudresh BR, Tater A, Barot V, Patel N, Desai A, Mitra S, Deshpande A. Development and experimental validation of 3D QSAR models for the screening of thyroid peroxidase inhibitors using integrated methods of computational chemistry. Heliyon 10 (2024). doi:10.1016/j.heliyon.2024.e29756
Contact:
Microverse Center Jena
Rosalind-Franklin-Str. 5
07745 Jena
Germany
GitHub: mitrasreerupa