Atanas Patronov

According to our database, Atanas Patronov authored at least 10 papers between 2020 and 2022.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of four.

2022

Icolos: a workflow manager for structure-based post-processing of <i>de novo</i> generated small molecules.

J. Harry Moore, Matthias R. Bauer, Jeff Guo, Atanas Patronov, Ola Engkvist, Christian Margreitter

Bioinform., October, 2022

Author Correction: Improving de novo molecular design with curriculum learning.

Jeff Guo, Vendy Fialková, Juan Diego Arango, Christian Margreitter, Jon Paul Janet, Kostas Papadopoulos, Ola Engkvist, Atanas Patronov

Nat. Mach. Intell., 2022

Improving de novo molecular design with curriculum learning.

Jeff Guo, Vendy Fialková, Juan Diego Arango, Christian Margreitter, Jon Paul Janet, Kostas Papadopoulos, Ola Engkvist, Atanas Patronov

Nat. Mach. Intell., 2022

Structure-Aware Multimodal Deep Learning for Drug-Protein Interaction Prediction.

Penglei Wang, Shuangjia Zheng, Yize Jiang, Chengtao Li, Junhong Liu, Chang Wen, Atanas Patronov, Dahong Qian, Hongming Chen, Yuedong Yang

J. Chem. Inf. Model., 2022

LibINVENT: Reaction-based Generative Scaffold Decoration for <i>in Silico</i> Library Design.

Vendy Fialková, Jiaxi Zhao, Kostas Papadopoulos, Ola Engkvist, Esben Jannik Bjerrum, Thierry Kogej, Atanas Patronov

J. Chem. Inf. Model., 2022

Human-in-the-loop assisted de novo molecular design.

Iiris Sundin, Alexey Voronov, Haoping Xiao, Kostas Papadopoulos, Esben Jannik Bjerrum, Markus Heinonen, Atanas Patronov, Samuel Kaski, Ola Engkvist

J. Cheminformatics, 2022

Transformer-based molecular optimization beyond matched molecular pairs.

Jiazhen He, Eva Nittinger, Christian Tyrchan, Werngard Czechtizky, Atanas Patronov, Esben Jannik Bjerrum, Ola Engkvist

J. Cheminformatics, 2022

2021

DockStream: a docking wrapper to enhance de novo molecular design.

Jeff Guo, Jon Paul Janet, Matthias R. Bauer, Eva Nittinger, Kathryn A. Giblin, Kostas Papadopoulos, Alexey Voronov, Atanas Patronov, Ola Engkvist, Christian Margreitter

J. Cheminformatics, 2021

2020

REINVENT 2.0: An AI Tool for De Novo Drug Design.

Thomas Blaschke, Josep Arús-Pous, Hongming Chen, Christian Margreitter, Christian Tyrchan, Ola Engkvist, Kostas Papadopoulos, Atanas Patronov

J. Chem. Inf. Model., 2020

SMILES-based deep generative scaffold decorator for de-novo drug design.

Josep Arús-Pous, Atanas Patronov, Esben Jannik Bjerrum, Christian Tyrchan, Jean-Louis Reymond, Hongming Chen, Ola Engkvist

J. Cheminformatics, 2020