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cs.AI2025
MADD: Multi-Agent Drug Discovery Orchestra
Gleb V. Solovev, Alina B. Zhidkovskaya, Anastasia Orlova +18
Hit identification is a central challenge in early drug discovery, traditionally requiring substantial experimental resources. Recent advances in artificial intelligence, particula…
cs.AI2025
Benchmarking Agentic Systems in Automated Scientific Information Extraction with ChemX
Anastasia Vepreva, Julia Razlivina, Maria Eremeeva +10
The emergence of agent-based systems represents a significant advancement in artificial intelligence, with growing applications in automated data extraction. However, chemical info…
cs.AI2024
Hybrid Generative AI for De Novo Design of Co-Crystals with Enhanced Tabletability
Nina Gubina, Andrei Dmitrenko, Gleb Solovev +7
Co-crystallization is an accessible way to control physicochemical characteristics of organic crystals, which finds many biomedical applications. In this work, we present Generativ…