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E

Esben Jannik Bjerrum

AstraZeneca

31H指数
134论文数
4.7K被引数
收录论文 28
发表时间
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Metis: a python-based user interface to collect expert feedback for generative chemistry modelsMetis: 一个基于python的用户界面，用于收集生成化学模型的专家反馈
errJOURNAL OF CHEMINFORMATICS
IF5.7
err2024-08-14
err1
errOAAI
errMenke, Janosch; Nahal, Yasmine; Bjerrum, Esben Jannik; Kabeshov, Mikhail; Kaski, Samuel; Engkvist, Ola
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Faster and more diverse de novo molecular optimization with double-loop reinforcement learning using augmented SMILES使用增强微笑的双环强化学习实现更快，更多样化的从头分子优化
errJOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
IF3.1
err2023-06-17
err6
errOAAI
errBjerrum, Esben Jannik; Margreitter, Christian; Blaschke, Thomas; Kolarova, Simona; de Castro, Raquel Lopez-Rios
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Human-in-the-loop assisted de novo molecular design人在环辅助从头分子设计
errJOURNAL OF CHEMINFORMATICS
IF5.7
err2022-12-28
err12
errOAAI
errSundin, Iiris; Voronov, Alexey; Xiao, Haoping; Papadopoulos, Kostas; Bjerrum, Esben Jannik; Heinonen, Markus; Patronov, Atanas; Kaski, Samuel; Engkvist, Ola
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Transformer-based molecular optimization beyond matched molecular pairs
errJOURNAL OF CHEMINFORMATICS
IF5.7
err2022-03-28
err34
errOAAI
errHe, Jiazhen; Nittinger, Eva; Tyrchan, Christian; Czechtizky, Werngard; Patronov, Atanas; Bjerrum, Esben Jannik; Engkvist, Ola
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Chemformer: a pre-trained transformer for computational chemistry
errMACHINE LEARNING-SCIENCE AND TECHNOLOGY
IF4.6
err2022-01-31
err160
errOAAI
errIrwin, Ross; Dimitriadis, Spyridon; He, Jiazhen; Bjerrum, Esben Jannik
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Fast prediction of distances between synthetic routes with deep learning
errMACHINE LEARNING-SCIENCE AND TECHNOLOGY
IF4.6
err2022-01-21
err11
errOAAI
errGenheden, Samuel; Engkvist, Ola; Bjerrum, Esben
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PaRoutes: towards a framework for benchmarking retrosynthesis route predictions
errDIGITAL DISCOVERY
IF5.6
err2022-01-01
err25
errOAAI
errGenheden, Samuel; Bjerrum, Esben
err分享
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Exploring Graph Traversal Algorithms in Graph-Based Molecular Generation
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2021-11-10
err12
errOAAI
errMercado, Rocio; Bjerrum, Esben J.; Engkvist, Ola
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LibINVENT: Reaction-based Generative Scaffold Decoration for in Silico Library DesignLibINVENT: 基于反应的生成式支架装饰，用于计算机库设计
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2021-08-30
err45
errOAAI
errFialkova, Vendy; Zhao, Jiaxi; Papadopoulos, Kostas; Engkvist, Ola; Bjerrum, Esben Jannik; Kogej, Thierry; Patronov, Atanas
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Clustering of Synthetic Routes Using Tree Edit Distance
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2021-08-03
err12
PREAI
errGenheden, Samuel; Engkvist, Ola; Bjerrum, Esben
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Molecular optimization by capturing chemist's intuition using deep neural networks
errJOURNAL OF CHEMINFORMATICS
IF5.7
err2021-03-20
err55
errOAAI
errHe, Jiazhen; You, Huifang; Sandstrom, Emil; Nittinger, Eva; Bjerrum, Esben Jannik; Tyrchan, Christian; Czechtizky, Werngard; Engkvist, Ola
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Graph networks for molecular design分子设计的图网络
errMACHINE LEARNING-SCIENCE AND TECHNOLOGY
IF4.6
err2021-03-02
err119
errOAAI
errMercado, Rocio; Rastemo, Tobias; Lindelof, Edvard; Klambauer, Gunter; Engkvist, Ola; Chen, Hongming; Jannik Bjerrum, Esben
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Retrosynthetic accessibility score (RAscore) - rapid machine learned synthesizability classification from AI driven retrosynthetic planning
errCHEMICAL SCIENCE
IF7.4
err2021-01-01
err82
errOAAI
errThakkar, Amol; Chadimova, Veronika; Bjerrum, Esben Jannik; Engkvist, Ola; Reymond, Jean-Louis
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Artificial applicability labels for improving policies in retrosynthesis prediction
errMACHINE LEARNING-SCIENCE AND TECHNOLOGY
IF4.6
err2020-12-24
err2
errOAAI
errBjerrum, Esben Jannik; Thakkar, Amol; Engkvist, Ola
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AiZynthFinder: a fast, robust and flexible open-source software for retrosynthetic planning
errJOURNAL OF CHEMINFORMATICS
IF5.7
err2020-11-17
err182
errOAAI
errGenheden, Samuel; Thakkar, Amol; Chadimova, Veronika; Reymond, Jean-Louis; Engkvist, Ola; Bjerrum, Esben
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SMILES-based deep generative scaffold decorator for de-novo drug design用于从头药物设计的基于SMILES的深度生成支架装饰器
errJOURNAL OF CHEMINFORMATICS
IF5.7
err2020-05-29
err112
errOAAI
errArus-Pous, Josep; Patronov, Atanas; Bjerrum, Esben Jannik; Tyrchan, Christian; Reymond, Jean-Louis; Chen, Hongming; Engkvist, Ola
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Direct steering of de novo molecular generation with descriptor conditional recurrent neural networks用描述符条件递归神经网络直接引导从头分子生成
errNATURE MACHINE INTELLIGENCE
IF23.9
err2020-05-18
err126
PREAI
errKotsias, Panagiotis-Christos; Arus-Pous, Josep; Chen, Hongming; Engkvist, Ola; Tyrchan, Christian; Bjerrum, Esben Jannik
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Ring Breaker: Neural Network Driven Synthesis Prediction of the Ring System Chemical Space
errJOURNAL OF MEDICINAL CHEMISTRY
IF6.8
err2020-04-30
err18
errOAAI
errThakkar, Amol; Selmi, Nidhal; Reymond, Jean-Louis; Engkvist, Ola; Bjerrum, Esben Jannik
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Datasets and their influence on the development of computer assisted synthesis planning tools in the pharmaceutical domain
errCHEMICAL SCIENCE
IF7.4
err2020-01-01
err90
errOAAI
errThakkar, Amol; Kogej, Thierry; Reymond, Jean-Louis; Engkvist, Ola; Bjerrum, Esben Jannik
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A de novo molecular generation method using latent vector based generative adversarial network一种基于潜在向量的生成对抗网络的从头分子生成方法
errJOURNAL OF CHEMINFORMATICS
IF5.7
err2019-12-03
err227
errOAAI
errPrykhodko, Oleksii; Johansson, Simon Viet; Kotsias, Panagiotis-Christos; Arus-Pous, Josep; Bjerrum, Esben Jannik; Engkvist, Ola; Chen, Hongming
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研究方向

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合作学者
合作期刊
A
Arne Schousboe
H 指数: 102 · 论文数: 704
J
Jean‐Louis Reymond
H 指数: 76 · 论文数: 738
F
Fin Stolze Larsen
H 指数: 58 · 论文数: 240
S
Samuel Kaski
H 指数: 58 · 论文数: 640
H
Hans Bräuner‐Osborne
H 指数: 56 · 论文数: 280
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