The prediction of crystal densities of a big data set using 1D and 2D structure features-Reference-Cited by-同舟云学术

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The prediction of crystal densities of a big data set using 1D and 2D structure features

Published:2024-02-06 Issue:5 Volume:35 Page:1375-1385
ISSN:1040-0400
Container-title:Structural Chemistry
language:en
Short-container-title:Struct Chem

Author:

Li Xianlan,Kong Dingling,Luan Yue,Guo Lili,Lu Yanhua,Li Wei,Tang Meng,Zhang Qingyou,Pang Aimin

Funder

National Natural Science Foundation of China

Open Research Fund Program of Science and Technology on Aerospace Chemical Power Laboratory

Publisher

Springer Science and Business Media LLC

Link

https://link.springer.com/content/pdf/10.1007/s11224-024-02279-4.pdf

Reference46 articles.

1. Todeschini R, Consonni V (2000) Handbook of molecular descriptors. Wiley-VCH, Weinheim, Germany, p 165

2. Kong DL, Luan Y, Zhao XW, Lu YH, Li W, Zhang QY, Pang AM (2023) Extended atom-based and bond-based group contribution descriptor and its application to melting point prediction of energetic compounds. Chemometr Intell Lab Syst 243

3. Katritzky AR, Mu L, Karelson M (1996) A QSPR study of the solubility of gases and vapors in water. J Chem Inf Comput Sci 36:1162

4. Li XL, Luan Y, Lu YL, Li W, Ma LH, Zhang QY, Pang AM (2023) Estimation of enthalpy of formation using Benson group addition and functional group correction. Chem Res Chin Univ 39(2):296–304

5. Luan F, Liu H, Wen Y, Li Q, Zhang X, Sun J (2010) QSPR study for estimation of density of some aromatic explosives by multiple linear regression approach. Propellants, Explos, Pyrotech 35(2):169–174

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