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#molecular-design News & Analysis

2 articles tagged with #molecular-design. AI-curated summaries with sentiment analysis and key takeaways from 50+ sources.

2 articles
AIBullisharXiv – CS AI · Mar 117/10
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Logos: An evolvable reasoning engine for rational molecular design

Researchers introduce Logos, a compact AI model that combines multi-step logical reasoning with chemical consistency for molecular design. The model achieves strong performance in structural accuracy and chemical validity while using fewer parameters than larger language models, and provides transparent reasoning that can be inspected by humans.

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.