谷歌使用IsoDDE对新型生物分子相互作用的准确预测.pdfVIP

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谷歌使用IsoDDE对新型生物分子相互作用的准确预测.pdf

10February2026

AccuratePredictionsofNovelBiomolecular

InteractionswithIsoDDE

IsomorphicLabsTeam

Predictingbiomolecularinteractionsisfundamentaltorationaldrugdesign,yetachievingexperimental

accuracyandgeneralisabilityacrossnovelchemicalspaceremainsacriticalbottleneck.Whiledeep

learningapproachessuchasAlphaFold3haveadvancedstructureprediction,benchmarksrevealthat

limitationspersistingeneralisingtounexploredregionsofmolecularspace,e

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