# Google DeepMind — Agentic cheminformatics with Google Antigravity

- Company: Google DeepMind (deepmind.google)
- Announced: 2026-11-03T17:01:49+00:00
- Category: developer-tool-release
- Coverage: not counted
- Announcement: yes
- Group: announcements
- Source: https://deepmind.google/blog/agentic-cheminformatics-with-google-antigravity/
- Record: https://forck.live/items/31105-agentic-cheminformatics-with-google-antigravity
- Subject: Gemini

Google DeepMind built a suite of Cheminformatics Skills for Google Antigravity that it says accelerates drug discovery workflows, shrinking an iteration that usually takes days to about an hour. The skills turn Antigravity into a collaborative science workbench with local tooling, aimed at chemists who spend too much time wrangling molecule data instead of testing hypotheses. In a walkthrough on rigidification, an agent retrieved thousands of compounds from lung cancer literature within minutes, filtered out buffers and solvents, and documented their sources in a report. The underlying language model handles orchestration and scientific reasoning while deterministic tools, grounded in the open source RDKit and connectors to ChEMBL and PubChem, run molecular calculations. The retrieved set was explored in an interactive viewer where scientists can inspect molecules and plot potency against rotatable bonds, showing that the most rigid compounds are the most potent. The report flagged that the macrocycles are largely predicted to be brain-penetrant, which matters because the target lung cancer often metastasizes to the brain.

## Evidence

Verbatim from https://deepmind.google/blog/agentic-cheminformatics-with-google-antigravity/:

> Here we show how Google Antigravity , equipped with our new Cheminformatics Skills, accelerates drug discovery workflows. Using real-world lung cancer treatments, an agent searches through thousands of compounds, performs matched molecular pair analysis, and proposes novel rigidified macrocycles with synthetic routes in just an hour.

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