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Chemistry

Working Paper

Adsorption Isotherm Predictions for Multiple Molecules in MOFs Using the Same Deep Learning Model

Ryther Anderson, Achay Biong, Diego Gómez-Gualdrón

Version 1 posted 27 September 2019

793

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Chemistry

Working Paper

Towards autonomous analysis of Chemical Exchange Saturation Transfer experiments using Deep Neural Networks

Gogulan Karunanithy, Tairan Yuwen, Lewis E Kay, D Flemming Hansen

Version 1 posted 15 December 2021

334

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1

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Chemistry

Working Paper

Prediction and Interpretable Visualization of Synthetic Reactions Using Graph Convolutional Networks

Shoichi Ishida, Kei Terayama, ryosuke kojima, Kiyosei Takasu, Yasushi Okuno

Version 1 posted 01 July 2019

938

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Chemistry

Working Paper

Deep learning pipeline for statistical quantification of amorphous two-dimensional materials

Christopher Leist, Meng He, Xue Liu, Ute Kaiser, Haoyuan Qi

Version 1 posted 13 October 2022

131

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Chemistry

Working Paper

From Theory to Experiment: Transformer-Based Generation Enables Rapid Discovery of Novel Reactions

Xinqiao Wang, Chuansheng Yao, Yun Zhang, Jiahui Yu, Haoran Qiao, Chengyun Zhang, Yejian Wu, Renren Bai, Hongliang Duan

Version 2 posted 10 August 2021

346

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1

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Chemistry

Working Paper

DECIMER - Towards Deep Learning for Chemical Image Recognition

Kohulan Rajan, Achim Zielesny, Christoph Steinbeck

Version 2 posted 20 August 2020

732

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Chemistry

Working Paper

Predicting Retrosynthetic Reaction using Self-Corrected Transformer Neural Networks

Shuangjia Zheng, Jiahua Rao, Zhongyue Zhang, Jun Xu, Yuedong Yang

Version 1 posted 03 July 2019

685

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Chemistry

Working Paper

Microfluidic Droplet Detection via Region-Based and Single-Pass Convolutional Neural Networks with Comparison to Conventional Image Analysis Methodologies

Gregory Rutkowski, Ilgar Azizov, Evan Unmann, Marcin Dudek, Brian Arthur Grimes

Version 1 posted 02 June 2021

438

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Chemistry

Working Paper

Balancing Data on Proteochemometrics Activity Classification

Angela Lopez-del Rio, Sergio Picart, Alexandre Perera-Lluna

Version 1 posted 27 January 2021

267

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Chemistry

Working Paper

Towards Autonomous Machine Learning in Chemistry via Evolutionary Algorithms

Gaurav Vishwakarma, Mojtaba Haghighatlari, Johannes Hachmann

Version 1 posted 09 September 2019

871

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5

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Refine Search

186 results in Deep learning in Keywords: Deep learning

Adsorption Isotherm Predictions for Multiple Molecules in MOFs Using the Same Deep Learning Model

Towards autonomous analysis of Chemical Exchange Saturation Transfer experiments using Deep Neural Networks

Prediction and Interpretable Visualization of Synthetic Reactions Using Graph Convolutional Networks

Deep learning pipeline for statistical quantification of amorphous two-dimensional materials

From Theory to Experiment: Transformer-Based Generation Enables Rapid Discovery of Novel Reactions

DECIMER - Towards Deep Learning for Chemical Image Recognition

Predicting Retrosynthetic Reaction using Self-Corrected Transformer Neural Networks

Microfluidic Droplet Detection via Region-Based and Single-Pass Convolutional Neural Networks with Comparison to Conventional Image Analysis Methodologies

Balancing Data on Proteochemometrics Activity Classification

Towards Autonomous Machine Learning in Chemistry via Evolutionary Algorithms

186 results in Keywords: Deep learning