A Novel Method for Inference of Chemical Compounds of Cycle Index Two with Desired Properties Based on Artificial Neural Networks and Integer Programming

Inference of chemical compounds with desired properties is important for drug design, chemo-informatics, and bioinformatics, to which various algorithmic and machine learning techniques have been applied. Recently, a novel method has been proposed for this inference problem using both artificial neu...

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Bibliographic Details

Published in:	Algorithms
Main Authors:	Jianshen Zhu, Chenxi Wang, Aleksandar Shurbevski, Hiroshi Nagamochi, Tatsuya Akutsu
Format:	Article
Language:	English
Published:	MDPI AG 2020-05-01
Subjects:	mixed integer linear programming QSAR/QSPR molecular design
Online Access:	https://www.mdpi.com/1999-4893/13/5/124