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An Improved Integer Programming Formulation for Inferring Chemical Compounds with Prescribed Topological Structures.
Jianshen Zhu
Naveed Ahmed Azam
Kazuya Haraguchi
Liang Zhao
Hiroshi Nagamochi
Tatsuya Akutsu
Published in:
IEA/AIE (1) (2021)
Keyphrases
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chemical compounds
integer programming formulation
drug discovery
structural features
graph databases
graph data
randomly generated
biological networks
graph kernels
feature selection
evolutionary algorithm
dynamic programming
subgraph isomorphism