Jonas Lederer1,2, Michael Gastegger1,2, Kristof T Schütt1,2

  • 1Berlin Institute of Technology (TU Berlin), 10587 Berlin, Germany. jonas.lederer@tu-berlin.de.

概括

机器学习,特别是传递信息的神经网络 (MPNNs),现在可以从原子表示中自动识别化学部分. 这一突破能够实现超越财产预测的多样化应用,减少对专家知识的依赖.

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MALDI-TOF Mass Spectrometry01:19

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