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04/27/2023
Molecular Design Based on Integer Programming and Splitting Data Sets by Hyperplanes
A novel framework for designing the molecular structure of chemical comp...
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08/23/2021
Molecular Design Based on Artificial Neural Networks, Integer Programming and Grid Neighbor Search
A novel framework has recently been proposed for designing the molecular...
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07/06/2021
An Inverse QSAR Method Based on Linear Regression and Integer Programming
Recently a novel framework has been proposed for designing the molecular...
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12/28/2020
Bounded-Degree Cut is Fixed-Parameter Tractable
In the bounded-degree cut problem, we are given a multigraph G=(V,E), tw...
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09/29/2020
A novel method for inference of chemical compounds with prescribed topological substructures based on integer programming
Analysis of chemical graphs is becoming a major research topic in comput...
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09/21/2020
A Novel Method for Inference of Acyclic Chemical Compounds with Bounded Branch-height Based on Artificial Neural Networks and Integer Programming
Analysis of chemical graphs is a major research topic in computational m...
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04/18/2020
Enumerating Chemical Graphs with Two Disjoint Cycles Satisfying Given Path Frequency Specifications
Enumerating chemical graphs satisfying given constraints is a fundamenta...
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04/16/2020
Polynomial-delay Enumeration Algorithms in Set Systems
We consider a set system (V, 𝒞⊆ 2^V) on a finite set V of elements, wher...
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04/14/2020
Enumerating Chemical Graphs with Mono-block 2-Augmented Tree Structure from Given Upper and Lower Bounds on Path Frequencies
We consider a problem of enumerating chemical graphs from given constrai...
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04/04/2020
Design of Polynomial-delay Enumeration Algorithms in Transitive Systems
In this paper, as a new notion, we define a transitive system to be a se...
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04/09/2018
Characterizing Star-PCGs
A graph G is called a pairwise compatibility graph (PCG, for short) if i...
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04/09/2018