Ola Engkvist

Molecular de-novo design through deep reinforcement learning

Marcus Olivecrona, Thomas Blaschke, Ola Engkvist et al. · Journal of Cheminformatics · 2017 · 1.4K citations · Full text

Pharmacy, Medicinal Chemistry, Pharmacology +14

REINVENT 2.0: An AI Tool for De Novo Drug Design

Thomas Blaschke, Josep Arús‐Pous, Hongming Chen et al. · Journal of Chemical Information and Modeling · 2020 · 459 citations

Pharmacy, Medicinal Chemistry, Computational Chemistry +7

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

Oleksii Prykhodko, Simon Johansson, Panagiotis-Christos Kotsias et al. · Journal of Cheminformatics · 2019 · 420 citations · Full text

Pharmacy, Medicinal Chemistry, Drug Design +14

Randomized SMILES strings improve the quality of molecular generative models

Josep Arús‐Pous, Simon Johansson, Oleksii Prykhodko et al. · Journal of Cheminformatics · 2019 · 409 citations · Full text

Computing, Chemistry, Computational Chemistry +16

Application of Generative Autoencoder in <i>De Novo</i> Molecular Design

Thomas Blaschke, Marcus Olivecrona, Ola Engkvist et al. · Molecular Informatics · 2017 · 404 citations · Full text

Pharmacy, Chemistry, Medicinal Chemistry +17