activity
20182022
most citedEnumerating Chemical Graphs with Mono-block 2-Augmented Tree Structure from Given Upper and Lower Bounds on Path Frequencies

5 citations · 18 across the 9 of their papers we have counts for

collaborators

12 papers

q-bio.BM20222 cited

Molecular Design Based on Integer Programming and Quadratic Descriptors in a Two-layered Model

Jianshen Zhu, Naveed Ahmed Azam, Shengjuan Cao +5

A novel framework has recently been proposed for designing the molecular structure of chemical compounds with a desired chemical property, where design of novel drugs is an importa…

cs.LG20213 cited

A Method for Inferring Polymers Based on Linear Regression and Integer Programming

Ryota Ido, Shengjuan Cao, Jianshen Zhu +5

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…

cs.LG2021

Molecular Design Based on Artificial Neural Networks, Integer Programming and Grid Neighbor Search

Naveed Ahmed Azam, Jianshen Zhu, Kazuya Haraguchi +3

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…

cs.LG2021

An Inverse QSAR Method Based on Linear Regression and Integer Programming

Jianshen Zhu, Naveed Ahmed Azam, Kazuya Haraguchi +3

Recently a novel framework has been proposed for designing the molecular structure of chemical compounds using both artificial neural networks (ANNs) and mixed integer linear progr…

cs.DS2020

Bounded-Degree Cut is Fixed-Parameter Tractable

Mingyu Xiao, Hiroshi Nagamochi

In the bounded-degree cut problem, we are given a multigraph , two disjoint vertex subsets , two functions $\mathrm{u}_A, \mathrm{u}_B:V\to \{0,1,\ldots,|E…

cs.CE2020

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…