Simon Johansson

Doctoral Student at Data Science and AI

Source: chalmers.se
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Showing 8 publications

2023

De novo generated combinatorial library design

Simon Johansson, Morteza Haghir Chehreghani, Ola Engkvist et al
Digital Discovery. Vol. 3 (1), p. 122-135
Journal article
2023

Diverse Data Expansion with Semi-Supervised k-Determinantal Point Processes

Simon Johansson, Ola Engkvist, Morteza Haghir Chehreghani et al
Proceedings - 2023 IEEE International Conference on Big Data, BigData 2023, p. 5260-5265
Paper in proceeding
2022

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

Simon Johansson, Hampus Gummesson Svensson, Esben Jannik Bjerrum et al
Molecular Informatics. Vol. 41 (12)
Journal article
2021

Artificial intelligence and automation in computer aided synthesis planning

Amol Thakkar, Simon Johansson, Kjell Jorner et al
Reaction Chemistry and Engineering. Vol. 6 (1), p. 27-51
Review article
2021

Uncertainty quantification in drug design

Lewis H. Mervin, Simon Johansson, Elizaveta Semenova et al
Drug Discovery Today. Vol. 26 (2), p. 474-489
Review article
2019

AI-assisted synthesis prediction

Simon Johansson, Amol Thakkar, Thierry Kogej et al
Drug Discovery Today: Technologies. Vol. 32-33, p. 65-72
Review article
2019

A de novo molecular generation method using latent vector based generative adversarial network

Oleksii Shevtsov, Simon Johansson, Panagiotis Christos Kotsias et al
Journal of Cheminformatics. Vol. 11 (1)
Journal article

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