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Theoretical and Computational Chemistry

Working Paper

Meta-Learning Initializations for Low-Resource Drug Discovery

Cuong Q. Nguyen, Constantine Kreatsoulas, Kim M. Branson

Version 1 posted 16 March 2020

772

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3

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Theoretical and Computational Chemistry

Working Paper

DLSCORE: A Deep Learning Model for Predicting Protein-Ligand Binding Affinities

Mahmudulla Hassan, Daniel Castaneda Mogollon, Olac Fuentes, suman sirimulla

Version 1 posted 20 April 2018

2,636

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10

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Theoretical and Computational 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

962

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Theoretical and Computational Chemistry

Working Paper

L-MolGAN: An improved implicit generative model for large molecular graphs

Yutaka Tsujimoto, Satoru Hiwa, Yushi Nakamura, Yohei Oe, Tomoyuki Hiroyasu

Version 3 posted 17 May 2021

1,737

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3

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Earth, Space, and Environmental Chemistry

Working Paper

Predicting Environmental Chemical Toxicity using a New Hybrid Deep Machine Learning Method

Sarita Limbu, Cyril Zakka, Sivanesan Dakshanamurthy

Version 2 posted 17 February 2021

1,044

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2

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Theoretical and Computational Chemistry

Working Paper

Improving the Accuracy of Protein-Ligand Binding Affinity Prediction by Deep Learning Models: Benchmark and Model

Mohammad Rezaei, Yanjun Li, Xiaolin Li, Chenglong Li

Version 1 posted 23 September 2019

1,142

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3

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Physical 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

457

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Theoretical and Computational Chemistry

Working Paper

Multi-Task Deep Neural Networks for Ames Mutagenicity Prediction

María Jimena Martínez, María Virginia Sabando, Axel J. Soto, Carlos Roca, Carlos Requena-Triguero, Nuria E. Campillo, Juan A. Páez, Ignacio Ponzoni

Version 1 posted 04 May 2022

570

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Analytical Chemistry

Working Paper

Restore high-resolution NMR spectra from inhomogeneous magnetic fields using neural network

Xiongjie Xiao, Qianqian Wang, Xu Zhang, Bin Jiang, Maili Liu

Version 1 posted 09 June 2023

215

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Agriculture and Food Chemistry

Working Paper

Classification of Tastants: A Deep Learning Based Approach

Prantar Dutta, Deepak Jain, Rakesh Gupta, Beena Rai

Version 2 posted 18 May 2023

491

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Refine Search

203 results in deep learning in Keywords: deep learning

Meta-Learning Initializations for Low-Resource Drug Discovery

DLSCORE: A Deep Learning Model for Predicting Protein-Ligand Binding Affinities

Prediction and Interpretable Visualization of Synthetic Reactions Using Graph Convolutional Networks

L-MolGAN: An improved implicit generative model for large molecular graphs

Predicting Environmental Chemical Toxicity using a New Hybrid Deep Machine Learning Method

Improving the Accuracy of Protein-Ligand Binding Affinity Prediction by Deep Learning Models: Benchmark and Model

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

Multi-Task Deep Neural Networks for Ames Mutagenicity Prediction

Restore high-resolution NMR spectra from inhomogeneous magnetic fields using neural network

Classification of Tastants: A Deep Learning Based Approach

203 results in Keywords: deep learning