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Chemistry

Working Paper

Targeted Adversarial Learning Optimized Sampling

Jun Zhang, Yi Isaac Yang, Frank Noé

Version 3 posted 22 May 2019

1,675

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Chemistry

Working Paper

An Exploration Strategy Improves the Diversity of de novo Ligands Using Deep Reinforcement Learning – A Case for the Adenosine A2A Receptor

Xuhan Liu, Kai Ye, Herman Van Vlijmen, Adriaan P. IJzerman, Gerard JP Van westen

Version 3 posted 16 April 2019

1,450

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Chemistry

Working Paper

Rationalizing Viral Drug Target Identification Using Computational Approaches : The SARS-CoV-2 Spike Glycoprotein S Case Study

Petr Popov, Pavel Buslaev, Igor Kozlovskii, Mark Zaretskii, Dmitry Karlov, Alexander Morozov

Version 1 posted 19 November 2020

775

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Chemistry

Working Paper

Inferring Experimental Procedures from Text-Based Representations of Chemical Reactions

Alain C. Vaucher, Philippe Schwaller, Joppe Geluykens, Vishnu H Nair, Anna Iuliano, Teodoro Laino

Version 1 posted 21 October 2020

872

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1

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Chemistry

Working Paper

Learning Continuous and Data-Driven Molecular Descriptors by Translating Equivalent Chemical Representations

Robin Winter, Floriane Montanari, Frank Noé, Djork-Arné Clevert

Version 1 posted 30 July 2018

1,732

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Language and Linguistics

Presentation

Identification from L2 Speech Using Neural Spectrogram Analysis

Calbert Graham

Version 1 posted 25 November 2020

137

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Chemistry

Working Paper

3D Convolutional Neural Networks and a CrossDocked Dataset for Structure-Based Drug Design

Paul Francoeur, Tomohide Masuda, David R. Koes

Version 2 posted 04 March 2020

3,929

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Chemistry

Working Paper

Comparison Between SMILES-Based Differential Neural Computer and Recurrent Neural Network Architectures for De Novo Molecule Design

Simon Viet Johansson, Oleksii Prykhodko, Josep Arús-Pous, Ola Engkvist, Hongming Chen

Version 1 posted 04 September 2019

1,086

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1

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Chemistry

Working Paper

Generating Ampicillin-Level Antimicrobial Peptides with Activity-Aware Generative Adversarial Networks

Andrejs Tucs, Duy Phuoc Tran, Akiko Yumoto, Yoshihiro Ito, Takanori Uzawa, Koji Tsuda

Version 1 posted 13 April 2020

926

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1

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Chemistry

Working Paper

DeltaDelta Neural Networks for Lead Optimization of Small Molecule Potency

Jose Jimenez-Luna, Laura Pérez-Benito, Gerard Martinez-Rosell, Simone Sciabola, Rubben Torella, Gary Tresadern, Gianni De Fabritiis

Version 1 posted 05 September 2019

955

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Refine Search

259 results in Deep learning in Keywords: Deep learning

Targeted Adversarial Learning Optimized Sampling

An Exploration Strategy Improves the Diversity of de novo Ligands Using Deep Reinforcement Learning – A Case for the Adenosine A2A Receptor

Rationalizing Viral Drug Target Identification Using Computational Approaches : The SARS-CoV-2 Spike Glycoprotein S Case Study

Inferring Experimental Procedures from Text-Based Representations of Chemical Reactions

Learning Continuous and Data-Driven Molecular Descriptors by Translating Equivalent Chemical Representations

Identification from L2 Speech Using Neural Spectrogram Analysis

3D Convolutional Neural Networks and a CrossDocked Dataset for Structure-Based Drug Design

Comparison Between SMILES-Based Differential Neural Computer and Recurrent Neural Network Architectures for De Novo Molecule Design

Generating Ampicillin-Level Antimicrobial Peptides with Activity-Aware Generative Adversarial Networks

DeltaDelta Neural Networks for Lead Optimization of Small Molecule Potency

259 results in Keywords: Deep learning