Carbon-based molecular properties efficiently predicted by deep learning-based quantum chemical simulation with large language models-Reference-Cited by-同舟云学术

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Carbon-based molecular properties efficiently predicted by deep learning-based quantum chemical simulation with large language models

Published:2024-06 Issue: Volume:176 Page:108531
ISSN:0010-4825
Container-title:Computers in Biology and Medicine
language:en
Short-container-title:Computers in Biology and Medicine

Author:

Wang Haoyu^ORCID,Chen Bin^ORCID,Sun Hangling^ORCID,Zhang Yuxuan^ORCID

Funder

Natural Science Foundation of Shanghai Municipality

Publisher

Elsevier BV

Reference65 articles.

1. Introduction to Computational Chemistry;Jensen,2017

2. Stimulated Raman scattering microscopy: an emerging tool for drug discovery;Tipping;Chem. Soc. Rev.,2016

3. Materials discovery and design using machine learning;Liu;J. Materiomics,2017

4. Cryo-electron microscopy for structural analysis of dynamic biological macromolecules;Murata;Biochim. Biophys. Acta (BBA)-Gen. Subj.,2018

5. 3-dimensional atomic scale structure of the ionic liquid–graphite interface elucidated by AM-AFM and quantum chemical simulations;Page;Nanoscale,2014

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