Computer aided compound identification based on a highly selective topological index-Reference-Cited by-同舟云学术

Computer aided compound identification based on a highly selective topological index

Published:2018-07 Issue: Volume:178 Page:56-64
ISSN:0169-7439
Container-title:Chemometrics and Intelligent Laboratory Systems
language:en
Short-container-title:Chemometrics and Intelligent Laboratory Systems

Author:

Xiao Kaixia,Chen Mengyao,Zhao Tanfeng,Zhang Qingyou

Funder

National Natural Science Foundation of China

Foundation of International Science and Technology Cooperation of Henan Province

Universidade Nova de Lisboa, Portugal

Scientific Research Foundation

State Education Ministry

Publisher

Elsevier BV

Subject

Spectroscopy,Process Chemistry and Technology,Computer Science Applications,Software,Analytical Chemistry

Reference31 articles.

1. Machine learning methods to predict density functional theory B3LYP energies of HOMO and LUMO orbitals;Pereira;J. Chem. Inf. Model.,2017

2. A new structure-based model for estimation of true critical volume of multi-component mixtures;Sobati;Chemometr. Intell. Lab. Syst.,2016

3. The derivation of a chiral substituent code for secondary alcohols and its application to the prediction of enantioselectivity;Suo;J. Mol. Graph. Model.,2013

4. Development of an ANN based additive-constitutive method for estimating viscosity lnη(T) of ionic liquids using particle swarm optimization;Lazzus;MATCH Commun. Math. Comput. Chem.,2017

5. Prediction of enantioselectivity of primary alcohols involved in racemic resolutions using chiral substituent code;Suo;Chemometr. Intell. Lab. Syst.,2013

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