#chemical-synthesis News & Analysis

3 articles tagged with #chemical-synthesis. AI-curated summaries with sentiment analysis and key takeaways from 50+ sources.

3 articles

AIBullisharXiv – CS AI · Mar 47/102

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RxnNano:Training Compact LLMs for Chemical Reaction and Retrosynthesis Prediction via Hierarchical Curriculum Learning

Researchers developed RxnNano, a compact 0.5B-parameter AI model for chemical reaction prediction that outperforms much larger 7B+ parameter models by 23.5% through novel training techniques focused on chemical understanding rather than scale. The framework uses hierarchical curriculum learning and chemical consistency objectives to improve drug discovery and synthesis planning applications.

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AIBullisharXiv – CS AI · Mar 37/103

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mCLM: A Modular Chemical Language Model that Generates Functional and Makeable Molecules

Researchers developed mCLM, a 3-billion parameter modular Chemical Language Model that generates functional molecules compatible with automated synthesis by tokenizing at the building block level rather than individual atoms. The AI system outperformed larger models including GPT-5 in creating synthesizable drug candidates and can iteratively improve failed clinical trial compounds.

AINeutralarXiv – CS AI · Jun 86/10

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RETROSPECT: RETROsynthesis via Sequential Prediction, and Chemically Transformed-ranking

RETROSPECT introduces a modular retrosynthesis system combining a Transformer-based proposal model with LambdaMART reranking to improve chemical synthesis prediction. The system achieves 55% top-1 accuracy on USPTO-50K benchmarks, demonstrating that decomposing retrosynthesis into proposal generation and learned selection improves both ranking quality and candidate diversity.