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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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Jannik Steinbring

Jannik Matuschke

Jannik Rossenbach

Jannik Strötgen

Jannik Otto

Other publications of authors with the same name

Chemformer: a pre-trained transformer for computational chemistry.R. Irwin, S. Dimitriadis, J. He, and E. Bjerrum. Mach. Learn. Sci. Technol., 3 (1): 15022 (2022)Improving Chemical Autoencoder Latent Space and Molecular De novo Generation Diversity with Heteroencoders.E. Bjerrum. CoRR, (2018)A de novo molecular generation method using latent vector based generative adversarial network.O. Prykhodko, S. Johansson, P. Kotsias, J. Arús-Pous, E. Bjerrum, O. Engkvist, and H. Chen. J. Cheminformatics, 11 (1): 74 (2019)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)Exploring Graph Traversal Algorithms in Graph-Based Molecular Generation.R. Mercado, E. Bjerrum, and O. Engkvist. J. Chem. Inf. Model., 62 (9): 2093-2100 (2022)Faster and more diverse de novo molecular optimization with double-loop reinforcement learning using augmented SMILES.E. Bjerrum, C. Margreitter, T. Blaschke, S. Kolarova, and R. de Castro. J. Comput. Aided Mol. Des., 37 (8): 373-394 (August 2023)Molecular Generation with Recurrent Neural Networks (RNNs).E. Bjerrum, and R. Threlfall. CoRR, (2017)Direct steering of de novo molecular generation with descriptor conditional recurrent neural networks.P. Kotsias, J. Arús-Pous, H. Chen, O. Engkvist, C. Tyrchan, and E. Bjerrum. Nat. Mach. Intell., 2 (5): 254-265 (2020)Clustering of Synthetic Routes Using Tree Edit Distance.S. Genheden, O. Engkvist, and E. Bjerrum. J. Chem. Inf. Model., 61 (8): 3899-3907 (2021)SMILES Enumeration as Data Augmentation for Neural Network Modeling of Molecules.E. Bjerrum. CoRR, (2017)

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Disambiguation of "Bjerrum, Esben Jannik"

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

Please choose a person to relate this publication to

Jannik Steinbring

Jannik Matuschke

Jannik Rossenbach

Jannik Strötgen

Jannik Otto

Other publications of authors with the same name

Disambiguation

BibSonomy

Disambiguation of "Bjerrum, Esben Jannik"

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

Jannik Steinbring

Jannik Matuschke

Jannik Rossenbach

Jannik Strötgen

Jannik Otto

Other publications of authors with the same name

Disambiguation

copy delete add this publication to your clipboard
community post
history of this post
URL
DOI
BibTeX
EndNote
APA
Chicago
DIN 1505
Harvard
MSOffice XML

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