Google Antigravity launches cheminformatics skills
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Google DeepMind launches Cheminformatics Skills for Google Antigravity, built on RDKit and connected to ChEMBL and PubChem. DeepMind says agents can complete the full workflow in about an hour, from extracting thousands of compounds from literature, matched molecular pair analysis, and building potency prediction models, to proposing novel rigidified macrocyclic compounds and synthetic routes. To use it, you need to download the Antigravity app and install the Science plugin; enterprise users can also choose "Use Business Account" to sign in with Google Cloud credentials. DeepMind also says it is offering the highest usage tier of Antigravity free for 6 months to 10,000 scientists, onboarded on a rolling basis, subject to eligibility, capacity, and screening criteria; applications are now open.
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- Google DeepMindFeaturedAgentic cheminformatics with Google Antigravity
Google describes Cheminformatics Skills for Google Antigravity that pair a language model for workflow orchestration and scientific reasoning with deterministic RDKit-based tools and ChEMBL/PubChem connectors. In a lung cancer walkthrough, an agent retrieved thousands of compounds, ran matched molecular pair analysis, built potency models, and proposed rigidified macrocycles with synthesis routes in about an hour. The authors note that sparse data and assay noise limit predictive precision, so computational designs remain testable hypotheses requiring experimental validation.
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