Advancements in Molecular Property Prediction: A Survey of Single and Multimodal Approaches

18 August 2024

Chandni Saxena

Papers citing "Advancements in Molecular Property Prediction: A Survey of Single and Multimodal Approaches"

24 / 24 papers shown

Title
Geometric Transformer for End-to-End Molecule Properties Prediction Yoni Choukroun Lior Wolf AI4CE ViT 50 16 0 26 Oct 2021
Pre-training Molecular Graph Representation with 3D Geometry Shengchao Liu Hanchen Wang Weiyang Liu Joan Lasenby Hongyu Guo Jian Tang 172 317 0 07 Oct 2021
Motif-based Graph Self-Supervised Learning for Molecular Property Prediction Zaixin Zhang Qi Liu Hao Wang Chengqiang Lu Chee-Kong Lee SSL AI4CE 83 258 0 03 Oct 2021
Property-Aware Relation Networks for Few-Shot Molecular Property Prediction Yaqing Wang Abulikemu Abuduweili Quanming Yao Dejing Dou 77 70 0 16 Jul 2021
Relational graph convolutional networks for predicting blood-brain barrier penetration of drug molecules Yan Ding Xiaoqian Jiang Yejin Kim GNN 44 19 0 04 Jul 2021
Attention Bottlenecks for Multimodal Fusion Arsha Nagrani Shan Yang Anurag Arnab A. Jansen Cordelia Schmid Chen Sun 98 567 0 30 Jun 2021
On Graph Neural Network Ensembles for Large-Scale Molecular Property Prediction E. Kosasih J. Cabezas Xavier Sumba Piotr Bielak Kamil Tagowski Kelvin Idanwekhai Benedict Aaron Tjandra Arian R. Jamasb AI4CE 24 9 0 29 Jun 2021
Improving Molecular Graph Neural Network Explainability with Orthonormalization and Induced Sparsity Ryan Henderson Djork-Arné Clevert F. Montanari 68 27 0 11 May 2021
Self-Supervised Graph Transformer on Large-Scale Molecular Data Yu Rong Yatao Bian Tingyang Xu Wei-yang Xie Ying Wei Wenbing Huang Junzhou Huang AI4CE 126 25 0 18 Jun 2020
Meta-Learning in Neural Networks: A Survey Timothy M. Hospedales Antreas Antoniou P. Micaelli Amos Storkey OOD 388 1,979 0 11 Apr 2020
Molecule Attention Transformer Lukasz Maziarka Tomasz Danel Slawomir Mucha Krzysztof Rataj Jacek Tabor Stanislaw Jastrzebski 78 170 0 19 Feb 2020
SMILES Transformer: Pre-trained Molecular Fingerprint for Low Data Drug Discovery Shion Honda Shoi Shi H. Ueda MedIm 71 175 0 12 Nov 2019
RoBERTa: A Robustly Optimized BERT Pretraining Approach Yinhan Liu Myle Ott Naman Goyal Jingfei Du Mandar Joshi Danqi Chen Omer Levy M. Lewis Luke Zettlemoyer Veselin Stoyanov AIMat 653 24,464 0 26 Jul 2019
Toxicity Prediction by Multimodal Deep Learning Abdul Karim Jaspreet Singh Avinash Mishra A. Dehzangi M. A. Hakim Newton Abdul Sattar 18 15 0 19 Jul 2019
Strategies for Pre-training Graph Neural Networks Weihua Hu Bowen Liu Joseph Gomes Marinka Zitnik Percy Liang Vijay S. Pande J. Leskovec SSL AI4CE 116 1,404 0 29 May 2019
Provably Powerful Graph Networks Haggai Maron Heli Ben-Hamu Hadar Serviansky Y. Lipman 118 579 0 27 May 2019
Analyzing Learned Molecular Representations for Property Prediction Kevin Kaichuang Yang Kyle Swanson Wengong Jin Connor W. Coley Philipp Eiden ... Andrew Palmer Volker Settels Tommi Jaakkola K. Jensen Regina Barzilay 104 1,317 0 02 Apr 2019
BERT: Pre-training of Deep Bidirectional Transformers for Language Understanding Jacob Devlin Ming-Wei Chang Kenton Lee Kristina Toutanova VLM SSL SSeg 1.8K 94,891 0 11 Oct 2018
How Powerful are Graph Neural Networks? Keyulu Xu Weihua Hu J. Leskovec Stefanie Jegelka GNN 240 7,653 0 01 Oct 2018
SMILES2Vec: An Interpretable General-Purpose Deep Neural Network for Predicting Chemical Properties Garrett B. Goh Nathan Oken Hodas Charles Siegel Abhinav Vishnu 39 143 0 06 Dec 2017
Graph Attention Networks Petar Velickovic Guillem Cucurull Arantxa Casanova Adriana Romero Pietro Lio Yoshua Bengio GNN 479 20,138 0 30 Oct 2017
Inductive Representation Learning on Large Graphs William L. Hamilton Z. Ying J. Leskovec 509 15,247 0 07 Jun 2017
Neural Message Passing for Quantum Chemistry Justin Gilmer S. Schoenholz Patrick F. Riley Oriol Vinyals George E. Dahl 593 7,455 0 04 Apr 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 335 1,828 0 02 Mar 2017