arXiv Machine Learning By Qian Tan, Xuanyu Zhu, Lei Jiang, Zhonghang Yuan, Chen Zhang, Yuqiang Li

MolGVR: A Chemistry-Grounded Framework for Text-to-Molecule Generation

Read the original on arXiv Machine Learning →

arXiv:2607. 29479v1 Announce Type: new Abstract: Text-to-molecule generation is typically formulated as a one-shot sequence generation problem, where a model directly maps target descriptions to molecular representations.

Summary generated by The Flow from the publisher's feed. The full article lives at arXiv Machine Learning.

arXiv AI
Jun 2

When Single Answer Is Not Enough: Rethinking Single-Step Retrosynthesis Benchmarks for LLMs

arXiv:2602. 03554v2 Announce Type: replace-cross Abstract: Recent progress has expanded the use of large language models (LLMs) in drug discovery, including synthesis planning.

By Bogdan Zagribelnyy, Ivan Ilin, Maksim Kuznetsov, Nikita Bondarev, Mathieu Reymond, Roman Schutski, Thomas MacDougall, Rim Shayakhmetov, Zulfat Miftakhutdinov, Mikolaj Mizera, Vladimir Aladinskiy, Alex Aliper, Alex Zhavoronkov