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In this paper we study the practicality and usefulness of incorporating distributed representations of graphs into models within the context of drug pair scoring.
Distributional structure
Zellig S. Harris · 1954
Earlier work this paper cites.
Algorithm 97: Shortest path
Robert W. Floyd · 1962
Earlier work this paper cites.
A theorem on boolean matrices
Stephen Warshall · 1962
Earlier work this paper cites.
Algorithm 141: Path matrix
P. Z. Ingerman · 1962
Earlier work this paper cites.
The generation of a unique machine description for chemical structures-a technique developed at chemical abstracts service
H. L. Morgan · 1965
Earlier work this paper cites.
A reduction of a graph to a canonical form and an algebra arising during this reduction
B. Weisfeiler and A. A. Lehman · 1968
Earlier work this paper cites.
Smiles, a chemical language and information system. 1. introduction to methodology and encoding rules
David Weininger · 1988
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.
Exploring network structure, dynamics, and function using networkx
Daniel A. Schult · 2008
Earlier work this paper cites.
Graph kernels
S. V. N. Vishwanathan, Nicol N. Schraudolph, Risi Kondor, and Karsten M. Borgwardt · 2010
Earlier work this paper cites.
Weisfeiler-lehman graph kernels
Nino Shervashidze, Pascal Schweitzer, Erik Jan van Leeuwen, Kurt Mehlhorn, and Karsten M. Borgwardt · 2011
Earlier work this paper cites.
Data-driven prediction of drug effects and interactions
Nicholas P. Tatonetti, Patrick P. Ye, Roxana Daneshjou, and Russ B. Altman · 2012
Earlier work this paper cites.
Efficient estimation of word representations in vector space
Tomas Mikolov, Kai Chen, Greg Corrado, and Jeffrey Dean · 2013
Earlier work this paper cites.
Distributed representations of sentences and documents
Quoc Le and Tomas Mikolov · 2014
Earlier work this paper cites.
Glove: Global vectors for word representation
Jeffrey Pennington, Richard Socher, and Christopher D. Manning · 2014
Earlier work this paper cites.
word2vec explained: deriving mikolov et al.’s negative-sampling word-embedding method
Yoav Goldberg and Omer Levy · 2014
Cited alongside, same era.
Adam: A method for stochastic optimization
Diederik Kingma and Jimmy Ba · 2014
Cited alongside, same era.
Inchi, the iupac international chemical identifier
Stephen R. Heller, Alan McNaught, Igor Pletnev, Stephen Stein, and Dmitrii Tchekhovskoi · 2015
Cited alongside, same era.
Deep graph kernels
Pinar Yanardag and S.V.N. Vishwanathan · 2015
Cited alongside, same era.
Rdkit: Open-source cheminformatics software
Greg Landrum · 2016
Cited alongside, same era.
Neural message passing for quantum chemistry
Justin Gilmer, Samuel S. Schoenholz, Patrick F. Riley, Oriol Vinyals, and George E. Dahl · 2017
Cited alongside, same era.
DrugComb: an integrative cancer drug combination data portal
Bulat Zagidullin, Jehad Aldahdooh, Shuyu Zheng, Wenyu Wang, Yinyin Wang, Joseph Saad, Alina Malyutina, Mohieddin Jafari, Ziaurrehman Tanoli, Alberto Pessia, and Jing Tang · 2019
Later among the works it cites.
One molecular fingerprint to rule them all: drugs, biomolecules, and the metabolome
Alice Capecchi, Daniel Probst, and Jean-Louis Reymond · 2020
Later among the works it cites.
Estimated Research and Development Investment Needed to Bring a New Medicine to Market, 2009-2018
Olivier J. Wouters, Martin McKee, and Jeroen Luyten · 2020
Later among the works it cites.
Self-referencing embedded strings (SELFIES): A 100% robust molecular string representation
Mario Krenn, Florian Häse, AkshatKumar Nigam, Pascal Friederich, and Alan Aspuru-Guzik · 2020
Later among the works it cites.
Structure-based drug-drug interaction detection via expressive graph convolutional networks and deep sets (student abstract)
Mengying Sun, Fei Wang, Olivier Elemento, and Jiayu Zhou · 2020
Later among the works it cites.
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DeepSynergy: predicting anti-cancer drug synergy with Deep Learning
Kristina Preuer, Richard P I Lewis, Sepp Hochreiter, Andreas Bender, Krishna C Bulusu, and Günter Klambauer · 2017
Cited alongside, same era.
graph2vec: Learning distributed representations of graphs
Annamalai Narayanan, Mahinthan Chandramohan, Rajasekar Venkatesan, Lihui Chen, Yang Liu, and Shantanu Jaiswal · 2017
Cited alongside, same era.
Deep learning improves prediction of drug–drug and drug–food interactions
Jae Yong Ryu, Hyun Uk Kim, and Sang Yup Lee · 2018
Cited alongside, same era.
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, Jorge Aguilera-Iparraguirre, Timothy D. Hirzel, Ryan P. Adams, and Alán Aspuru-Guzik · 2018
Cited alongside, same era.
Deepsmiles: An adaptation of smiles for use in machine-learning of chemical structures
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Cited alongside, same era.
Deepdrug: A general graph-based deep learning framework for drug relation prediction
Xusheng Cao, Rui Fan, and Wanwen Zeng · 2020
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Learning distributed representations of graphs with geo2dr
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Geometric deep learning: Grids, groups, graphs, geodesics, and gauges
Michael M Bronstein, Joan Bruna, Taco Cohen, and Petar Veličković · 2021
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Utilizing graph machine learning within drug discovery and development
Thomas Gaudelet, Ben Day, Arian R Jamasb, Jyothish Soman, Cristian Regep, Gertrude Liu, Jeremy BR Hayter, Richard Vickers, Charles Roberts, Jian Tang, et al · 2021
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DrugComb update: a more comprehensive drug sensitivity data repository and analysis portal
Shuyu Zheng, Jehad Aldahdooh, Tolou Shadbahr, Yinyin Wang, Dalal Aldahdooh, Jie Bao, Wenyu Wang, and Jing Tang · 2021
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Graph networks for molecular design
Rocío Mercado, Tobias Rastemo, Edvard Lindelöf, Günter Klambauer, Ola Engkvist, Hongming Chen, and Esben Jannik Bjerrum · 2021
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Deepdds: deep graph neural network with attention mechanism to predict synergistic drug combinations
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Matchmaker: A deep learning framework for drug synergy prediction
Halil Ibrahim Kuru, Oznur Tastan, and A. Ercument Cicek · 2021
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