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News
From Molecular Lego to High-Quality Data
6+ hour, 15+ min ago (30+ words) Insilico Medicine Introducing sorbaMOF DB: High-Quality Data for Direct Air Capture (DAC) A Transferable Foundation for Next-Generation MaterialsBuilding on a Strategic AI–Energy Collaboration...
Insilico Medicine to Present Groundbreaking AI Retrosynthesis Research at ICML 2026: Introducing ChemCensor to Bring Real-World Chemistry Into AI Benchmarking
3+ mon, 6+ day ago (147+ words) Insilico Medicine Insilico Medicine to Present Groundbreaking AI Retrosynthesis Research at ICML 2026: Introducing ChemCensor to Bring Real-World Chemistry Into AI Benchmarking - Beyond Top-K Accuracy: The paper argues that single-answer evaluation on constrained benchmarks like USPTO-50K is fundamentally insufficient for retrosynthesis…...
Teaching AI the Language of Molecules
4+ mon, 1+ day ago (251+ words) Insilico Medicine - Reasoning Traces: Using Supervised Fine-Tuning (SFT) and Reinforcement Learning (RFT), models are taught to generate "thinking" chains. This forces the AI to work through chemical plausibility step-by-step before providing an answer. - Chemical Format Augmentation: The model translates descriptions…...