Structure to Property: Chemical Element Embeddings and a Deep Learning Approach for Accurate Prediction of Chemical Properties

17 September 2023

Papers citing "Structure to Property: Chemical Element Embeddings and a Deep Learning Approach for Accurate Prediction of Chemical Properties"

11 / 11 papers shown

Title
Accurate Learning of Graph Representations with Graph Multiset Pooling Jinheon Baek Minki Kang Sung Ju Hwang 51 175 0 23 Feb 2021
Few-Shot Graph Learning for Molecular Property Prediction Zhichun Guo Chuxu Zhang Wenhao Yu John E. Herr Olaf Wiest Meng Jiang Nitesh Chawla AI4CE 143 173 0 16 Feb 2021
Molecular representation learning with language models and domain-relevant auxiliary tasks Benedek Fabian T. Edlich H. Gaspar Marwin H. S. Segler Joshua Meyers Marco Fiscato Mohamed Ahmed 56 127 0 26 Nov 2020
Molecular Mechanics-Driven Graph Neural Network with Multiplex Graph for Molecular Structures Shuo-feng Zhang Yang Liu Lei Xie GNN 44 60 0 15 Nov 2020
Heterogeneous Molecular Graph Neural Networks for Predicting Molecule Properties Zeren Shui George Karypis 39 62 0 26 Sep 2020
SMILES2Vec: An Interpretable General-Purpose Deep Neural Network for Predicting Chemical Properties Garrett B. Goh Nathan Oken Hodas Charles Siegel Abhinav Vishnu 39 141 0 06 Dec 2017
Machine learning modeling of superconducting critical temperature V. Stanev C. Oses A. Kusne Efrain Rodriguez J. Paglione S. Curtarolo Ichiro Takeuchi 31 370 0 08 Sep 2017
SchNet: A continuous-filter convolutional neural network for modeling quantum interactions Kristof T. Schütt Pieter-Jan Kindermans Huziel Enoc Sauceda Felix Stefan Chmiela A. Tkatchenko K. Müller 127 1,069 0 26 Jun 2017
Attention Is All You Need Ashish Vaswani Noam M. Shazeer Niki Parmar Jakob Uszkoreit Llion Jones Aidan Gomez Lukasz Kaiser Illia Polosukhin 3DV 526 129,831 0 12 Jun 2017
MoleculeNet: A Benchmark for Molecular Machine Learning Zhenqin Wu Bharath Ramsundar Evan N. Feinberg Joseph Gomes C. Geniesse Aneesh S. Pappu K. Leswing Vijay S. Pande OOD 307 1,808 0 02 Mar 2017
Efficient Estimation of Word Representations in Vector Space Tomas Mikolov Kai Chen G. Corrado J. Dean 3DV 595 31,406 0 16 Jan 2013