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MTPNet: Mu...
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Image Credit: Arxiv

MTPNet: Multi-Grained Target Perception for Unified Activity Cliff Prediction

  • Activity cliff prediction is crucial in drug discovery and material design.
  • Existing methods are limited to single binding targets, hindering their broader applicability.
  • MTPNet, a Multi-Grained Target Perception network, incorporates knowledge of molecular interactions with target proteins for activity cliff prediction.
  • MTPNet outperforms previous approaches by utilizing receptor proteins to enhance interaction detail capturing, leading to more accurate predictions.

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