期刊论文详细信息
Algorithms for Molecular Biology | |
A novel method for inference of acyclic chemical compounds with bounded branch-height based on artificial neural networks and integer programming | |
Tatsuya Akutsu1  Yu Shi2  Aleksandar Shurbevski2  Naveed Ahmed Azam2  Yanming Sun2  Jianshen Zhu2  Hiroshi Nagamochi2  Liang Zhao3  | |
[1] Bioinformatics Center, Institute for Chemical Research, Kyoto University, Gokasho, 611-0011, Uji, Japan;Department of Applied Mathematics and Physics, Kyoto University, Yoshida Honmachi, Sakyo, 606-8501, Kyoto, Japan;Graduate School of Advanced Integrated Studies in Human Survivability, Kyoto University, Yoshida Nakaadachi-cho, Sakyo, 606-8306, Kyoto, Japan; | |
关键词: QSAR/QSPR; Molecular design; Artificial neural network; Mixed integer linear programming; Enumeration of graphs; Primary; 05C92; 92E10; Secondary; 05C30; 68T07; 90C11; 92-04; | |
DOI : 10.1186/s13015-021-00197-2 | |
来源: Springer | |