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Molecular knowledge resides within three different modalities of information sources: molecular structures, biomedical documents, and knowledge bases.
The properties of known drugs. 1. molecular frameworks
Guy W Bemis and Mark A Murcko · 1996
Earlier work this paper cites.
Medical subject headings (mesh)
Carolyn E Lipscomb · 2000
Earlier work this paper cites.
Bleu: a method for automatic evaluation of machine translation
Kishore Papineni, Salim Roukos, Todd Ward, and Wei-Jing Zhu · 2002
Earlier work this paper cites.
Bleu: a method for automatic evaluation of machine translation
Kishore Papineni, Salim Roukos, Todd Ward, and Wei-Jing Zhu · 2002
Earlier work this paper cites.
Reoptimization of mdl keys for use in drug discovery
Joseph L Durant, Burton A Leland, Douglas R Henry, and James G Nourse · 2002
Earlier work this paper cites.
Rouge: A package for automatic evaluation of summaries
Chin-Yew Lin · 2004
Earlier work this paper cites.
Meteor: An automatic metric for mt evaluation with improved correlation with human judgments
Satanjeev Banerjee and Alon Lavie · 2005
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Visualizing data using t-sne
Laurens Van der Maaten and Geoffrey Hinton · 2008
Earlier work this paper cites.
Advanced encryption standard
Frederic P Miller, Agnes F Vandome, and John McBrewster · 2009
Earlier work this paper cites.
Extended-connectivity fingerprints
David Rogers and Mathew Hahn · 2010
Earlier work this paper cites.
Translating embeddings for modeling multi-relational data
Antoine Bordes, Nicolas Usunier, Alberto Garcia-Duran, Jason Weston, and Oksana Yakhnenko · 2013
Earlier work this paper cites.
A semantic matching energy function for learning with multi-relational data: Application to word-sense disambiguation
Antoine Bordes, Xavier Glorot, Jason Weston, and Yoshua Bengio · 2014
Earlier work this paper cites.
Deep metric learning using triplet network
Elad Hoffer and Nir Ailon · 2015
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Deep metric learning using triplet network
Elad Hoffer and Nir Ailon · 2015
Earlier work this paper cites.
Get your atoms in order–an open-source implementation of a novel and robust molecular canonicalization algorithm
Nadine Schneider, Roger A Sayle, and Gregory A Landrum · 2015
Earlier work this paper cites.
Assessing the state of the art in biomedical relation extraction: overview of the biocreative v chemical-disease relation (cdr) task
Chih-Hsuan Wei, Yifan Peng, Robert Leaman, Allan Peter Davis, Carolyn J Mattingly, Jiao Li, Thomas C Wiegers, and Zhiyong Lu · 2016
Earlier work this paper cites.
Pubchem substance and compound databases
Sunghwan Kim, Paul A Thiessen, Evan E Bolton, Jie Chen, Gang Fu, Asta Gindulyte, Lianyi Han, Jane He, Siqian He, Benjamin A Shoemaker, et al · 2016
Earlier work this paper cites.
Bindingdb in 2015: a public database for medicinal chemistry, computational chemistry and systems pharmacology
Michael K Gilson, Tiqing Liu, Michael Baitaluk, George Nicola, Linda Hwang, and Jenny Chong · 2016
Earlier work this paper cites.
Pubchem substance and compound databases
Sunghwan Kim, Paul A Thiessen, Evan E Bolton, Jie Chen, Gang Fu, Asta Gindulyte, Lianyi Han, Jane He, Siqian He, Benjamin A Shoemaker, et al · 2016
Earlier work this paper cites.
Bindingdb in 2015: a public database for medicinal chemistry, computational chemistry and systems pharmacology
Michael K Gilson, Tiqing Liu, Michael Baitaluk, George Nicola, Linda Hwang, and Jenny Chong · 2016
Earlier work this paper cites.
Predicting potential drug-drug interactions by integrating chemical, biological, phenotypic and network data
Wen Zhang, Yanlin Chen, Feng Liu, Fei Luo, Gang Tian, and Xiaohong Li · 2017
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Attention is all you need
Ashish Vaswani, Noam Shazeer, Niki Parmar, Jakob Uszkoreit, Llion Jones, Aidan N Gomez, Łukasz Kaiser, and Illia Polosukhin · 2017
Earlier work this paper cites.
Overcoming catastrophic forgetting in neural networks
James Kirkpatrick, Razvan Pascanu, Neil Rabinowitz, Joel Veness, Guillaume Desjardins, Andrei A Rusu, Kieran Milan, John Quan, Tiago Ramalho, Agnieszka Grabska-Barwinska, et al · 2017
Earlier work this paper cites.
Decoupled weight decay regularization
Ilya Loshchilov and Frank Hutter · 2017
Earlier work this paper cites.
Moleculenet: a benchmark for molecular machine learning
Zhenqin Wu, Bharath Ramsundar, Evan N Feinberg, Joseph Gomes, Caleb Geniesse, Aneesh S Pappu, Karl Leswing, and Vijay Pande · 2018
Earlier work this paper cites.
How powerful are graph neural networks?
Keyulu Xu, Weihua Hu, Jure Leskovec, and Stefanie Jegelka · 2018
Earlier work this paper cites.
Representation learning with contrastive predictive coding
Aaron van den Oord, Yazhe Li, and Oriol Vinyals · 2018
Earlier work this paper cites.
Drugbank 5.0: a major update to the drugbank database for 2018
David S Wishart, Yannick D Feunang, An C Guo, Elvis J Lo, Ana Marcu, Jason R Grant, Tanvir Sajed, Daniel Johnson, Carin Li, Zinat Sayeeda, et al · 2018
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Representation learning with contrastive predictive coding
Aaron van den Oord, Yazhe Li, and Oriol Vinyals · 2018
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Revisiting knowledge base embedding as tensor decomposition
Jiezhong Qiu, Hao Ma, Yuxiao Dong, Kuansan Wang, and Jie Tang · 2018
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Drugbank 5.0: a major update to the drugbank database for 2018
David S Wishart, Yannick D Feunang, An C Guo, Elvis J Lo, Ana Marcu, Jason R Grant, Tanvir Sajed, Daniel Johnson, Carin Li, Zinat Sayeeda, et al · 2018
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A probabilistic molecular fingerprint for big data settings
Daniel Probst and Jean-Louis Reymond · 2018
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Text2mol: Cross-modal molecule retrieval with natural language queries
Carl Edwards, ChengXiang Zhai, and Heng Ji · 2021
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Pre-training molecular graph representation with 3d geometry
Shengchao Liu, Hanchen Wang, Weiyang Liu, Joan Lasenby, Hongyu Guo, and Jian Tang · 2021
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Domain-specific language model pretraining for biomedical natural language processing
Yu Gu, Robert Tinn, Hao Cheng, Michael Lucas, Naoto Usuyama, Xiaodong Liu, Tristan Naumann, Jianfeng Gao, and Hoifung Poon · 2021
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A unified drug–target interaction prediction framework based on knowledge graph and recommendation system
Qing Ye, Chang-Yu Hsieh, Ziyi Yang, Yu Kang, Jiming Chen, Dongsheng Cao, Shibo He, and Tingjun Hou · 2021
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Mocl: Data-driven molecular fingerprint via knowledge-aware contrastive learning from molecular graph
Mengying Sun, Jing Xing, Huijun Wang, Bin Chen, and Jiayu Zhou · 2021
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Vilbert: Pretraining task-agnostic visiolinguistic representations for vision-and-language tasks
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Scibert: A pretrained language model for scientific text
Iz Beltagy, Kyle Lo, and Arman Cohan · 2019
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Bert: Pre-training of deep bidirectional transformers for language understanding
Jacob Devlin, Ming-Wei Chang, Kenton Lee, and Kristina Toutanova · 2019
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Deep metric learning: A survey
Mahmut Kaya and Hasan Şakir Bilge · 2019
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Deep metric learning: A survey
Mahmut Kaya and Hasan Şakir Bilge · 2019
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Uniprot: a worldwide hub of protein knowledge
UniProt Consortium · 2019
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Scibert: A pretrained language model for scientific text
Iz Beltagy, Kyle Lo, and Arman Cohan · 2019
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building a knowledge graph from public databases and scientific literature to extract associations between chemicals and diseases
Maxime Delmas, Olivier Filangi, Nils Paulhe, Florence Vinson, Christophe Duperier, William Garrier, Paul-Emeric Saunier, Yoann Pitarch, Fabien Jourdan, Franck Giacomoni, et al · 2021
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Align before fuse: Vision and language representation learning with momentum distillation
Junnan Li, Ramprasaath Selvaraju, Akhilesh Gotmare, Shafiq Joty, Caiming Xiong, and Steven Chu Hong Hoi · 2021
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Mocl: Data-driven molecular fingerprint via knowledge-aware contrastive learning from molecular graph
Mengying Sun, Jing Xing, Huijun Wang, Bin Chen, and Jiayu Zhou · 2021
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building a knowledge graph from public databases and scientific literature to extract associations between chemicals and diseases
Maxime Delmas, Olivier Filangi, Nils Paulhe, Florence Vinson, Christophe Duperier, William Garrier, Paul-Emeric Saunier, Yoann Pitarch, Fabien Jourdan, Franck Giacomoni, et al · 2021
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Text2mol: Cross-modal molecule retrieval with natural language queries
Carl Edwards, ChengXiang Zhai, and Heng Ji · 2021
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Supervision exists everywhere: A data efficient contrastive language-image pre-training paradigm
Yangguang Li, Feng Liang, Lichen Zhao, Yufeng Cui, Wanli Ouyang, Jing Shao, Fengwei Yu, and Junjie Yan · 2022
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An empirical study of training end-to-end vision-and-language transformers
Zi-Yi Dou, Yichong Xu, Zhe Gan, Jianfeng Wang, Shuohang Wang, Lijuan Wang, Chenguang Zhu, Pengchuan Zhang, Lu Yuan, Nanyun Peng, et al · 2022
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A deep-learning system bridging molecule structure and biomedical text with comprehension comparable to human professionals
Zheni Zeng, Yuan Yao, Zhiyuan Liu, and Maosong Sun · 2022
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Translation between molecules and natural language
Carl Edwards, Tuan Lai, Kevin Ros, Garrett Honke, and Heng Ji · 2022
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A molecular multimodal foundation model associating molecule graphs with natural language
Bing Su, Dazhao Du, Zhao Yang, Yujie Zhou, Jiangmeng Li, Anyi Rao, Hao Sun, Zhiwu Lu, and Ji-Rong Wen · 2022
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Chemformer: a pre-trained transformer for computational chemistry
Ross Irwin, Spyridon Dimitriadis, Jiazhen He, and Esben Jannik Bjerrum · 2022
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Molecular contrastive learning of representations via graph neural networks
Yuyang Wang, Jianren Wang, Zhonglin Cao, and Amir Barati Farimani · 2022
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Pre-training molecular graph representation with 3d geometry
Shengchao Liu, Hanchen Wang, Weiyang Liu, Joan Lasenby, Hongyu Guo, and Jian Tang · 2022
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Unified 2d and 3d pre-training of molecular representations
Jinhua Zhu, Yingce Xia, Lijun Wu, Shufang Xie, Tao Qin, Wengang Zhou, Houqiang Li, and Tie-Yan Liu · 2022
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3d infomax improves gnns for molecular property prediction
Hannes Stärk, Dominique Beaini, Gabriele Corso, Prudencio Tossou, Christian Dallago, Stephan Günnemann, and Pietro Liò · 2022
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Molecular contrastive learning with chemical element knowledge graph
Yin Fang, Qiang Zhang, Haihong Yang, Xiang Zhuang, Shumin Deng, Wen Zhang, Ming Qin, Zhuo Chen, Xiaohui Fan, and Huajun Chen · 2022
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A molecular multimodal foundation model associating molecule graphs with natural language
Bing Su, Dazhao Du, Zhao Yang, Yujie Zhou, Jiangmeng Li, Anyi Rao, Hao Sun, Zhiwu Lu, and Ji-Rong Wen · 2022
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A deep-learning system bridging molecule structure and biomedical text with comprehension comparable to human professionals
Zheni Zeng, Yuan Yao, Zhiyuan Liu, and Maosong Sun · 2022
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Pre-training molecular graph representation with 3d geometry
Shengchao Liu, Hanchen Wang, Weiyang Liu, Joan Lasenby, Hongyu Guo, and Jian Tang · 2022
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Translation between molecules and natural language
Carl Edwards, Tuan Lai, Kevin Ros, Garrett Honke, and Heng Ji · 2022
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Empowering ai drug discovery with explicit and implicit knowledge
Yizhen Luo, Kui Huang, Massimo Hong, Kai Yang, Jiahuan Zhang, Yushuai Wu, and Zaiqin Nie · 2023
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