不劳而获:利用$${\Delta }$$ -学习改进溶剂化自由能预测

IF 1.6 4区化学 Q4 CHEMISTRY, PHYSICAL

Theoretical Chemistry Accounts Pub Date : 2023-10-01 DOI:10.1007/s00214-023-03047-z

Fanwang Meng, Hanwen Zhang, Juan Samuel Collins Ramirez, Paul W. Ayers

引用次数: 0

摘要

本文章由计算机程序翻译，如有差异，请以英文原文为准。

$Something for nothing: improved solvation free energy prediction with $${\Delta }$$-learning$

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Something for nothing: improved solvation free energy prediction with $${\Delta }$$-learning

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来源期刊

Theoretical Chemistry Accounts 化学-物理化学

CiteScore

3.40

自引率

0.00%

发文量

审稿时长

3.8 months

期刊介绍： TCA publishes papers in all fields of theoretical chemistry, computational chemistry, and modeling. Fundamental studies as well as applications are included in the scope. In many cases, theorists and computational chemists have special concerns which reach either across the vertical borders of the special disciplines in chemistry or else across the horizontal borders of structure, spectra, synthesis, and dynamics. TCA is especially interested in papers that impact upon multiple chemical disciplines.