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🏥DeepMind Agent Drafts Drug Macrocycles in About an Hour
TL;DR
Google DeepMind paired Antigravity with new Cheminformatics Skills built on RDKit, ChEMBL and PubChem. In a lung-cancer TKI case study the agent proposed rigidified macrocycles with synthesis routes in about an hour.
Google DeepMind paired Antigravity with new Cheminformatics Skills built on RDKit, ChEMBL and PubChem. In a lung-cancer TKI case study the agent proposed rigidified macrocycles with synthesis routes in about an hour.
Key Points
1
Case study covers crizotinib and lorlatinib; curated dashboard dataset has 568 compounds
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Google DeepMindAntigravitycheminformaticsdrug discoveryagent skillsRDKit
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