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AI scans 4.6 million compounds in hours to predict hydrogen positions in drug-like molecules

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  2. Neuestevor 16 Std.

    New AI tool predicts hydrogen positions to speed up drug discovery

    New York University researchers have trained an AI model to learn chemical patterns associated with stability in drug-like molecules and accurately predict where their hydrogen atoms should be positioned.

    TMThe Medical News
  3. Erste Meldungvor 19 Std.

    AI scans 4.6 million compounds in hours to predict hydrogen positions in drug-like molecules

    New York University researchers have trained an AI model to learn chemical patterns associated with stability in drug-like molecules and accurately predict where their hydrogen atoms should be positioned.

    Phys.orgPhys.org