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Analytical Chemistry

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Theoretical and Computational Chemistry

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Simon Viet Johansson

5 results in Authors: Simon Viet Johansson

Theoretical and Computational Chemistry

A De Novo Molecular Generation Method Using Latent Vector Based Generative Adversarial Network

Oleksii Prykhodko, Simon Viet Johansson, Panagiotis-Christos Kotsias, Josep Arús-Pous, Esben Jannik Bjerrum, Ola Engkvist, Hongming Chen

Version 4 posted 23 September 2019

2,016

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Theoretical and Computational Chemistry

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

959

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1

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Theoretical and Computational Chemistry

de novo generated combinatorial library design

Simon Viet Johansson, Morteza Hagir Chehreghani, Ola Engkvist, Alexander Schliep

Version 1 posted 07 June 2023

388

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Theoretical and Computational Chemistry

Using Active Learning to Develop Machine Learning Models for Reaction Yield Prediction

Simon Viet Johansson, Hampus Gummesson Svensson, Esben Bjerrum, Alexander Schliep, Morteza Haghir Chehreghani, Christian Tyrchan, Ola Engkvist

Version 1 posted 30 June 2021

761

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1

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Analytical Chemistry

Randomized SMILES Strings Improve the Quality of Molecular Generative Models

Josep Arús-Pous, Simon Viet Johansson, Oleksii Prykhodko, Esben Jannik Bjerrum, Christian Tyrchan, Jean-Louis Reymond, Hongming Chen, Ola Engkvist

Version 2 posted 30 July 2019

1,830

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1

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