Title
Molecular Design Based on Artificial Neural Networks, Integer Programming and Grid Neighbor Search
Abstract
A novel framework has recently been proposed for designing the molecular structure of chemical compounds with a desired chemical property using both artificial neural networks and mixed integer linear programming. In the framework, a chemical graph with a target chemical value is inferred as a feasible solution of a mixed integer linear program that represents a prediction function and other requi...
Year
DOI
Venue
2021
10.1109/BIBM52615.2021.9669710
2021 IEEE International Conference on Bioinformatics and Biomedicine (BIBM)
Keywords
DocType
ISBN
Integer programming,Conferences,Artificial neural networks,Mixed integer linear programming,Chemical compounds,Bioinformatics,Chemicals
Conference
978-1-6654-0126-5
Citations 
PageRank 
References 
0
0.34
0
Authors
6
Name
Order
Citations
PageRank
Naveed Ahmed Azam100.34
Jianshen Zhu201.01
Kazuya Haraguchi300.34
Liang Zhao400.34
Hiroshi Nagamochi500.34
Tatsuya Akutsu632.07