Molecular Design Based on Integer Programming and Splitting Data Sets by
Hyperplanes

Molecular Design Based on Integer Programming and Splitting Data Sets by Hyperplanes

27 April 2023

Jianshen Zhu

Naveed Ahmed Azam

Kazuya Haraguchi

Liang Zhao

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Papers citing "Molecular Design Based on Integer Programming and Splitting Data Sets by Hyperplanes"

6 / 6 papers shown

Title
A Method for Inferring Polymers Based on Linear Regression and Integer Programming Ryota Ido Shengjuan Cao Jianshen Zhu Naveed Ahmed Azam Kazuya Haraguchi Liang Zhao H. Nagamochi Tatsuya Akutsu 36 6 0 24 Aug 2021
GraphAF: a Flow-based Autoregressive Model for Molecular Graph Generation Chence Shi Minkai Xu Zhaocheng Zhu Weinan Zhang Ming Zhang Jian Tang 177 438 0 26 Jan 2020
GraphNVP: An Invertible Flow Model for Generating Molecular Graphs Kaushalya Madhawa Katushiko Ishiguro Kosuke Nakago Motoki Abe BDL 111 192 0 28 May 2019
Grammar Variational Autoencoder Matt J. Kusner Brooks Paige José Miguel Hernández-Lobato BDL DRL 85 844 0 06 Mar 2017
Automatic chemical design using a data-driven continuous representation of molecules Rafael Gómez-Bombarelli Jennifer N. Wei David Duvenaud José Miguel Hernández-Lobato Benjamín Sánchez-Lengeling Dennis Sheberla J. Aguilera-Iparraguirre Timothy D. Hirzel Ryan P. Adams Alán Aspuru-Guzik 3DV 176 2,939 0 07 Oct 2016
Semi-Supervised Classification with Graph Convolutional Networks Thomas Kipf Max Welling GNN SSL 662 29,156 0 09 Sep 2016