The 3rd Workshop on AI in Drug Discovery (https://e-nns.org/icann2026/aidd) to be held within the esteemed 35th International Conference on Artificial Neural Networks (ICANN 2026), invites cutting-edge contributions in the rapidly evolving field of AI-driven drug discovery. We are seeking submissions encompassing various facets such as generative models, eXplainable AI (XAI), uncertainty quantification, reaction informatics and synthetic route prediction, quantum machine learning for reactivity, methodologies for mining very large compound data sets, federated learning, analysis of HTS data, multimodal and equivariant neural networks, and other topics related to the use of ML in chemistry. This workshop aims to bring together machine learning experts, computational chemists and chemoinformaticians working on the development and application of ML in chemistry, environmental health and (eco)toxicology.
Workshop Organizers
- Igor Tetko