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New RIGS framework enhances controllable chemical retrosynthesis

Researchers have developed a new framework called Route-Instruction Grounding and Steering (RIGS) to improve controllable retrosynthesis in chemistry. This two-stage approach first trains a language projector to understand instruction-based preferences for precursor sets, and then uses this projector to guide a generative model. Experiments show that RIGS can effectively steer the generation of chemical alternatives based on specific instructions, with performance scaling across different model sizes. AI

IMPACT Enhances AI's ability to perform complex, instruction-guided chemical synthesis tasks.

RANK_REASON The cluster contains a research paper detailing a new framework for controllable retrosynthesis. [lever_c_demoted from research: ic=1 ai=1.0]

Read on arXiv cs.AI →

AI-generated summary · Google Gemini · from 1 sources. How we write summaries →

New RIGS framework enhances controllable chemical retrosynthesis

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The cluster contains a research paper detailing a new framework for controllable retrosynthesis. [lever_c_demoted from research: ic=1 ai=1.0]
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COVERAGE [1]

  1. arXiv cs.AI TIER_1 English(EN) · Xuemin Chen, Xiaozhuang Song, Xinjian Zhao, Yaoyao Xu, Tianshu Yu ·

    Coverage Before Control: Route-Instruction Grounding and Steering for Controllable Retrosynthesis

    arXiv:2609.39955v1 Announce Type: new Abstract: Single-step retrosynthesis models are commonly evaluated by their ability to recover recorded reactions. In practice, chemists may need to choose among several precursor sets for the same product, for example to preserve a particula…