Machine learning in molecular sciences
Qu, Chen.

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  • Machine learning in molecular sciences
  • 紀錄類型: 書目-電子資源 : Monograph/item
    正題名/作者: Machine learning in molecular sciences/ edited by Chen Qu, Hanchao Liu.
    其他作者: Qu, Chen.
    出版者: Cham :Springer International Publishing : : 2023.,
    面頁冊數: x, 317 p. :ill., digital ;24 cm.
    內容註: An Introduction to Machine Learning in Molecular Sciences -- Graph Neural Networks for Molecules -- Voxelized representations of atomic systems for machine learning applications -- Development of exchange-correlation functionals assisted by machine learning -- Machine-Learning for Static and Dynamic Electronic Structure Theory -- Data Quality, Data Sampling and Data Fitting: A Tutorial Guide for Constructing Full-dimensional Accurate Potential Energy Surfaces (PESs) of Molecules and Reactions -- Machine Learning Applications in Chemical Kinetics and Thermochemistry -- Synthesize in A Smart Way: A Brief Introduction to Intelligence and Automation in Organic Synthesis -- Machine Learning for Protein Engineering.
    Contained By: Springer Nature eBook
    標題: Machine learning. -
    電子資源: https://doi.org/10.1007/978-3-031-37196-7
    ISBN: 9783031371967
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W9460644 電子資源 11.線上閱覽_V 電子書 EB Q325.5 .M33 2023 一般使用(Normal) 在架 0
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