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Paper Review

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[논문 리뷰] Discovering Relationships between OSDAs and Zeolites through Data Mining and Generative Neural Networks Discovering Relationships between OSDAs and Zeolites through Data Mining and Generative Neural Networks Zach Jensen, Soonhyoung Kwon, Daniel Schwalbe-Koda, Cecilia Paris, Rafael Gómez-Bombarelli, Yuriy Román-Leshkov, Avelino Corma, Manuel Moliner, and Elsa A. Olivetti ACS Cent. Sci. 2021 Publication Date:April 16, 2021 https://doi.org/10.1021/acscentsci.1c00024 자연어 처리를 통해 자동으로 추출된 문헌 데이터에서 WHIM ..
[논문 리뷰] Convolutional Networks on Graphs for Learning Molecular Fingerprints Convolutional Networks on Graphs for Learning Molecular Fingerprints David Duvenaud, Dougal Maclaurin, Jorge Aguilera-Iparragurre, Rafael Gómez-Bombarelli, Timothy Hirzel, Alán Aspuru-Guzik, and Ryan P. Adams. 본 논문에서는 그래프에서 바로 사용이 가능한 CNN(convolutional neural network)구조를 제안한다. 이러한 네트워크를 통해 입력이 임의의 크기와 모양의 그래프인 예측 파이프라인에 대한 end-to-end 학습이 가능해진다. 우리가 제시하는 아키텍처는 circular fingerprints를 기반으로 표준 분자 fe..
[논문 리뷰] Polymers for Extreme Conditions Designed Using Syntax-Directed Variational Autoencoders Polymers for Extreme Conditions Designed Using Syntax-Directed Variational Autoencoders Rohit Batra*, Hanjun Dai, Tran Doan Huan, Lihua Chen, Chiho Kim, Will R. Gutekunst, Le Song, and Rampi Ramprasad Chem. Mater. 2020, XXXX, XXX, XXX-XXX Publication Date:December 14, 2020 Subjects: Insulators,Molecular modeling,Materials,Molecules,Polymers Authors 소개 Members of Georgia Institute of Technology (..
[논문 리뷰] End-to-End Representation Learning for Chemical-Chemical Interaction Prediction End-to-End Representation Learning for Chemical-Chemical Interaction Prediction Sunyoung Kwon, Sungroh Yoon IEEE/ACM Trans Comput Biol Bioinform. Sep-Oct 2019;16(5):1436-1447. Key terms: Chemical-chemical interaction, deep learning, neural network, CNN, commutative property, Siamese Journal 소개 IEEE/ACM Trans Comput Biol BioinformIEEE/ACM Transactions on Computational Biology and Bioinformatics -..

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