Google DeepMind 推出 Antigravity 化学信息学智能体技能
原标题：Agentic cheminformatics with Google Antigravity
AI 摘要
Google DeepMind 为 Google Antigravity 构建了一套化学信息学技能（Cheminformatics Skills），让语言模型负责工作流编排与科学推理，由基于 RDKit 的确定性化学工具执行分子计算，并接入 ChEMBL 与 PubChem 数据。该工具旨在减少化学家在分子数据整理上的耗时，并以药物刚性化案例（从 crizotinib 到 lorlatinib）演示其技术流程。
正文节选
Chemistry is one of science’s richest public records — spanning millions of structures across journal articles and vendor catalogs. It provides a common representation that links physics and mathematics to the life and environmental sciences. Molecules and their transformations are ubiquitous and shape the everyday world. Despite decades of progress in cheminformatics, chemists still spend too much time wrangling data, a process complicated by the fact that molecules can be represented in many w