Molecular de novo Design Through Deep Generative Models

oleh Engkvist, Ola, Arús-Pous, Josep, Bjerrum, Esben Jannik, Chen, Hongming
Terbitan: 2020

Application of Generative Autoencoder in de Novo Molecular Design

oleh Blaschke, Thomas, Olivecrona, Marcus, Engkvist, Ola, Bajorath, Jürgen, Chen, Hongming
Terbitan: 2017

Attention and Edge Memory Convolution for Bioactivity Prediction

oleh Withnall, Michael, Lindelöf, Edvard, Engkvist, Ola, Chen, Hongming
Terbitan: 2019

MraY-antibiotic complex reveals details of tunicamycin mode of action

oleh Hakulinen, Jonna, K., Hering, Jenny, Brändén, Gisela, Chen, Hongming, Ek, Margareta, Johansson, Patrik
Terbitan: 2017

Direct Steering of de novo Molecular Generation using Descriptor Conditional Recurrent Neural Networks (cRNNs)

oleh Kotsias, Panagiotis-Christos, Arús-Pous, Josep, Chen, Hongming, Engkvist, Ola, Tyrchan, Christian, Bjerrum, Esben Jannik
Terbitan: 2019

Exploring the GDB-13 chemical space using deep generative models

oleh Arús-Pous, Josef, Blaschke, Thomas, Ulander, Silas, Reymond, Jean‐Louis, Chen, Hongming, Engkvist, Ola
Terbitan: 2019

Randomized SMILES strings improve the quality of molecular generative models

oleh Arús-Pous, Josep, Johansson, Simon Viet, Prykhodko, Oleksii, Bjerrum, Esben Jannik, Tyrchan, Christian, Reymond, Jean-Louis, Chen, Hongming, Engkvist , Ola
Terbitan: 2019

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

oleh Prykhodko, Oleksii, Johansson, Simon Viet, Kotsias, Panagiotis‐Christos, Arús‐Pous, Josep, Bjerrum, Esben Jannik, Engkvist, Ola, Chen, Hongming
Terbitan: 2019