SAIR: Accelerating Pharma R&D with AI-Powered Structural Intelligence
Read the original on Hugging Face Blog →The Flow has not summarised this story yet — read it at Hugging Face Blog.
The Flow has not summarised this story yet — read it at Hugging Face Blog.
OpenAI and Molecule. one show how a near-autonomous AI chemist using GPT-5.
Connor Coley works at the interface of chemistry and machine learning, to discover and design new drug compounds.
arXiv:2606. 19245v1 Announce Type: new Abstract: Artificial intelligence (AI) agents promise to accelerate drug discovery by compressing interpretation and decision-making loops, but practical deployment requires trusted evaluation on realistic program decisions.
arXiv:2507.17448v2 Announce Type: replace-cross Abstract: Retrosynthetic planning is a cornerstone of organic synthesis and drug discovery. Yet existing AI methods often rely on pattern matching rath...
arXiv:2502. 18864v2 Announce Type: replace Abstract: Scientific discovery is driven by scientists generating novel hypotheses for complex problems that undergo rigorous experimental validation.
R-GroundBench is a new diagnostic benchmark for evaluating AI models on R‑group grounding in Markush molecular editing, derived from real pharmaceutical patents. It includes a Multiple‑Choice VQA track with varying difficulty and modality splits, as well as an open‑ended Generation track. Experiments show a large performance gap: models score over 90% on easy VQA but drop to 56–66% on hard VQA, and generation exact match stays below 20% (and under 8% with visual input).