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Sponsored Design Multi-Agent AI Systems Using MCP and A2A: Engineer your own Pyt Design Multi-Agent AI Systems Using MCP and A2A: Engineer your own Pyt

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Hai-tao Yu

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Jul 2026

Generative AI-Assisted Discovery of HPK1 Inhibitors.

An early application of REINVENT, AstraZeneca's in-house generative molecular design platform, is described to identify new inhibitor scaffolds for hematopoietic progenitor kinase 1 (HPK1), demonstrating the value of integrating generative AI with medicinal chemistry expertise.

K. Giblin, Kun Song, Hongming Chen et al. · 2 citations
Preprint Aug 2026

Towards Reasonable Molecular Structure Elucidation from Infrared Spectroscopy with Chemical Feedback

Infrared (IR) spectra provide characteristic signals of molecular structure, which are often interpreted by experts via functional-group identification or library matching, making the process time-consuming and ambiguous. Recent machine learning methods have made progress in molecular structure elucidation using molecu...

Yusen Tan, Hongyu Zhan, Hai-tao Yu et al. · 0 citations

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