Merging bioactivity predictions from cell morphology and chemical fingerprint models using similarity to training data. - Srijit Seal; Hongbin Yang; Maria-Anna Trapotsi; Satvik Singh; Jordi Carreras Puigvert; Ola Spjuth; Andreas Bender 002 (J. Cheminformatics, 2023)

Understanding Biology in the Age of Artificial Intelligence. - Elsa Lawrence; Adham El-Shazly; Srijit Seal; Chaitanya K. Joshi; Pietro Liò; Shantanu Singh; Andreas Bender 002; Pietro Sormanni; Matthew Greenig (CoRR, 2024)

Using Generative Modeling to Endow with Potency Initially Inert Compounds with Good Bioavailability and Low Toxicity. - Robert I. Horne; Jared Wilson-Godber; Alicia González Díaz; Z. Faidon Brotzakis; Srijit Seal; Rebecca C. Gregory; Andrea Possenti; Sean Chia; Michele Vendruscolo (J. Chem. Inf. Model., 2024)

Insights into Drug Cardiotoxicity from Biological and Chemical Data: The First Public Classifiers for FDA Drug-Induced Cardiotoxicity Rank. - Srijit Seal; Ola Spjuth; Layla Hosseini-Gerami; Miguel García-Ortegón; Shantanu Singh; Andreas Bender 002; Anne E. Carpenter (J. Chem. Inf. Model., 2024)

Graph neural processes for molecules: an evaluation on docking scores and strategies to improve generalization. - Miguel García-Ortegón; Srijit Seal; Carl Rasmussen; Andreas Bender 002; Sergio Bacallado (J. Cheminformatics, 2024)

Learning Molecular Representation in a Cell. - Gang Liu 025; Srijit Seal; John Arevalo; Zhenwen Liang; Anne E. Carpenter; Meng Jiang 001; Shantanu Singh (ICLR, 2025)