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Ivan Dubrovsky

2 accepted papers

2025

MADD: Multi-Agent Drug Discovery Orchestra

EMNLP 2025

Hit identification is a central challenge in early drug discovery, traditionally requiring substantial experimental resources. Recent advances in artificial intelligence, particularly large language models (LLMs), have enabled virtual screening methods that reduce costs and improve efficiency. Howev

2024

Unveiling the Potential of AI for Nanomaterial Morphology Prediction

ICML 2024poster

Creation of nanomaterials with specific morphology remains a complex experimental process, even though there is a growing demand for these materials in various industry sectors. This study explores the potential of AI to predict the morphology of nanoparticles within the data availability constraint…