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. Author manuscript; available in PMC: 2026 Feb 20.
Published in final edited form as: Proc Conf Empir Methods Nat Lang Process. 2025 Nov;2025:27337–27362. doi: 10.18653/v1/2025.emnlp-main.1390

Figure 2:

Figure 2:

Docked binding poses of generated molecules without (left) and with (right) BioAssay context. With BioAssay context, ChatGPT 4o generates a molecule with three hydrogen bonds to the GRK4 pocket residue MET-267, improving the docking score.