143 citations · 198 across the 19 of their papers we have counts for
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cs.CE2023
Molecular Design Based on Integer Programming and Splitting Data Sets by Hyperplanes
Jianshen Zhu, Naveed Ahmed Azam, Kazuya Haraguchi +3
A novel framework for designing the molecular structure of chemical compounds with a desired chemical property has recently been proposed. The framework infers a desired chemical g…
cs.CE2020★ 7 cited
A novel method for inference of chemical compounds with prescribed topological substructures based on integer programming
Tatsuya Akutsu, Hiroshi Nagamochi
Analysis of chemical graphs is becoming a major research topic in computational molecular biology due to its potential applications to drug design. One of the major approaches in s…