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

I. Sundin, A. Voronov, H. Xiao, K. Papadopoulos, E. Bjerrum, M. Heinonen, A. Patronov, S. Kaski, and O. Engkvist. J. Cheminformatics, 14 (1): 86 (2022)

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Atanas Tschelebiev

Atanas Totev

Atanas Damianov

Atanas Totev

Atanas Gegoff

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Human-in-the-loop assisted de novo molecular design.I. Sundin, A. Voronov, H. Xiao, K. Papadopoulos, E. Bjerrum, M. Heinonen, A. Patronov, S. Kaski, and O. Engkvist. J. Cheminformatics, 14 (1): 86 (2022)Author Correction: Improving de novo molecular design with curriculum learning.J. Guo, V. Fialková, J. Arango, C. Margreitter, J. Janet, K. Papadopoulos, O. Engkvist, and A. Patronov. Nat. Mach. Intell., 4 (8): 731 (2022)DockStream: a docking wrapper to enhance de novo molecular design.J. Guo, J. Janet, M. Bauer, E. Nittinger, K. Giblin, K. Papadopoulos, A. Voronov, A. Patronov, O. Engkvist, and C. Margreitter. J. Cheminformatics, 13 (1): 89 (2021)Structure-Aware Multimodal Deep Learning for Drug-Protein Interaction Prediction.P. Wang, S. Zheng, Y. Jiang, C. Li, J. Liu, C. Wen, A. Patronov, D. Qian, H. Chen, and Y. Yang. J. Chem. Inf. Model., 62 (5): 1308-1317 (2022)LibINVENT: Reaction-based Generative Scaffold Decoration for in Silico Library Design.V. Fialková, J. Zhao, K. Papadopoulos, O. Engkvist, E. Bjerrum, T. Kogej, and A. Patronov. J. Chem. Inf. Model., 62 (9): 2046-2063 (2022)SMILES-based deep generative scaffold decorator for de-novo drug design.J. Arús-Pous, A. Patronov, E. Bjerrum, C. Tyrchan, J. Reymond, H. Chen, and O. Engkvist. J. Cheminformatics, 12 (1): 38 (2020)Transformer-based molecular optimization beyond matched molecular pairs.J. He, E. Nittinger, C. Tyrchan, W. Czechtizky, A. Patronov, E. Bjerrum, and O. Engkvist. J. Cheminformatics, 14 (1): 18 (2022)REINVENT 2.0: An AI Tool for De Novo Drug Design.T. Blaschke, J. Arús-Pous, H. Chen, C. Margreitter, C. Tyrchan, O. Engkvist, K. Papadopoulos, and A. Patronov. J. Chem. Inf. Model., 60 (12): 5918-5922 (2020)Improving de novo molecular design with curriculum learning.J. Guo, V. Fialková, J. Arango, C. Margreitter, J. Janet, K. Papadopoulos, O. Engkvist, and A. Patronov. Nat. Mach. Intell., 4 (6): 555-563 (2022)Icolos: a workflow manager for structure-based post-processing of de novo generated small molecules.J. Moore, M. Bauer, J. Guo, A. Patronov, O. Engkvist, and C. Margreitter. Bioinform., 38 (21): 4951-4952 (October 2022)

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Disambiguation of "Patronov, Atanas"

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

Please choose a person to relate this publication to

Atanas Tschelebiev

Atanas Totev

Atanas Damianov

Atanas Totev

Atanas Gegoff

Other publications of authors with the same name

Disambiguation

BibSonomy

Disambiguation of "Patronov, Atanas"

copydeleteadd this publication to your clipboardcommunity posthistory of this postURLDOIBibTeXEndNoteAPAChicagoDIN 1505HarvardMSOffice XML Human-in-the-loop assisted de novo molecular design.

Please choose a person to relate this publication to

Atanas Tschelebiev

Atanas Totev

Atanas Damianov

Atanas Totev

Atanas Gegoff

Other publications of authors with the same name

Disambiguation

copy delete add this publication to your clipboard
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URL
DOI
BibTeX
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APA
Chicago
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Human-in-the-loop assisted de novo molecular design.