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Biomolecules
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November 2, 2018
Improving Chemical Autoencoder Latent Space and Molecular <i>De Novo</i> Generation Diversity with Heteroencoders
Esben Jannik Bjerrum, Boris Sattarov
Journal of Hepatology
|
February 17, 2018
Impaired cerebral microcirculation induced by ammonium chloride in rats is due to cortical adenosine release
Peter Nissen Bjerring, Esben Jannik Bjerrum, Fin Stolze Larsen
Journal of Medicinal Chemistry
|
May 1, 2020
"Ring Breaker": Neural Network Driven Synthesis Prediction of the Ring System Chemical Space
Amol Thakkar, Nidhal Selmi, Jean-Louis Reymond, et al.
Chemical Science
|
June 24, 2021
Retrosynthetic accessibility score (RAscore) - rapid machine learned synthesizability classification from AI driven retrosynthetic planning
Amol Thakkar, Veronika Chadimová, Esben Jannik Bjerrum, et al.
Chemical Science
|
February 29, 2020
Datasets and their influence on the development of computer assisted synthesis planning tools in the pharmaceutical domain
Amol Thakkar, Thierry Kogej, Jean-Louis Reymond, et al.
Journal of Cheminformatics
|
August 14, 2024
Metis: a python-based user interface to collect expert feedback for generative chemistry models
Janosch Menke, Yasmine Nahal, Esben Jannik Bjerrum, et al.
Journal of Chemical Information and Modeling
|
February 21, 2019
De Novo Molecular Design by Combining Deep Autoencoder Recurrent Neural Networks with Generative Topographic Mapping
Boris Sattarov, Igor I Baskin, Dragos Horvath, et al.
Journal of Computer-Aided Molecular Design
|
June 17, 2023
Faster and more diverse de novo molecular optimization with double-loop reinforcement learning using augmented SMILES
Esben Jannik Bjerrum, Christian Margreitter, Thomas Blaschke, et al.
Journal of Cheminformatics
|
March 29, 2022
Transformer-based molecular optimization beyond matched molecular pairs
Jiazhen He, Eva Nittinger, Christian Tyrchan, et al.
Journal of Chemical Information and Modeling
|
August 30, 2021
LibINVENT: Reaction-based Generative Scaffold Decoration for <i>in Silico</i> Library Design
Vendy Fialková, Jiaxi Zhao, Kostas Papadopoulos, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 16) with videos related to
Sort By:
Page
of 2
Biomolecules
|
November 2, 2018
Improving Chemical Autoencoder Latent Space and Molecular <i>De Novo</i> Generation Diversity with Heteroencoders
Esben Jannik Bjerrum, Boris Sattarov
Journal of Hepatology
|
February 17, 2018
Impaired cerebral microcirculation induced by ammonium chloride in rats is due to cortical adenosine release
Peter Nissen Bjerring, Esben Jannik Bjerrum, Fin Stolze Larsen
Journal of Medicinal Chemistry
|
May 1, 2020
"Ring Breaker": Neural Network Driven Synthesis Prediction of the Ring System Chemical Space
Amol Thakkar, Nidhal Selmi, Jean-Louis Reymond, et al.
Chemical Science
|
June 24, 2021
Retrosynthetic accessibility score (RAscore) - rapid machine learned synthesizability classification from AI driven retrosynthetic planning
Amol Thakkar, Veronika Chadimová, Esben Jannik Bjerrum, et al.
Chemical Science
|
February 29, 2020
Datasets and their influence on the development of computer assisted synthesis planning tools in the pharmaceutical domain
Amol Thakkar, Thierry Kogej, Jean-Louis Reymond, et al.
Journal of Cheminformatics
|
August 14, 2024
Metis: a python-based user interface to collect expert feedback for generative chemistry models
Janosch Menke, Yasmine Nahal, Esben Jannik Bjerrum, et al.
Journal of Chemical Information and Modeling
|
February 21, 2019
De Novo Molecular Design by Combining Deep Autoencoder Recurrent Neural Networks with Generative Topographic Mapping
Boris Sattarov, Igor I Baskin, Dragos Horvath, et al.
Journal of Computer-Aided Molecular Design
|
June 17, 2023
Faster and more diverse de novo molecular optimization with double-loop reinforcement learning using augmented SMILES
Esben Jannik Bjerrum, Christian Margreitter, Thomas Blaschke, et al.
Journal of Cheminformatics
|
March 29, 2022
Transformer-based molecular optimization beyond matched molecular pairs
Jiazhen He, Eva Nittinger, Christian Tyrchan, et al.
Journal of Chemical Information and Modeling
|
August 30, 2021
LibINVENT: Reaction-based Generative Scaffold Decoration for <i>in Silico</i> Library Design
Vendy Fialková, Jiaxi Zhao, Kostas Papadopoulos, et al.
Page
of 2