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C

Christian Tyrchan

astrazeneca

28H指数
139论文数
5.1K被引数
收录论文 52
发表时间
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Exploring Secondary Structure Predictions for RNA-Targeted Drug Discovery: Power and Challenges探索RNA靶向药物发现中的二级结构预测：优势与挑战
errJournal of Chemical Information and Modeling
IF5.3
err2026-03-01
err0
errOAAI
errZhang, Zhengyue; Dolcetti, Gaia; Tyrchan, Christian; De Maria, Leonardo; Bussi, Giovanni; Czechtizky, Werngard
err分享
err收藏
PROTAC-Splitter: a machine learning framework for automated identification of PROTAC substructuresPROTAC-Splitter：一个用于自动化识别PROTAC子结构的机器学习框架
errJournal of Cheminformatics
IF5.7
err2026-02-20
err0
errOAAI
errStefano Ribes; Ranxuan Zhang; Télio Cropsal; Anders Källberg; Christian Tyrchan; Eva Nittinger; Rocío Mercado
err分享
err收藏
Correction: Enhanced Thompson sampling by roulette wheel selection for screening ultralarge combinatorial libraries更正：通过轮盘赌选择增强汤普森采样，用于筛选超大型组合库
errJournal of Cheminformatics
IF5.7
err2025-10-24
err0
errOAAI
errHongtao Zhao; Eva Nittinger; Melissa A. Yu; Symon Gathiaka; W. Patrick Walters; Christian Tyrchan
err分享
err收藏
Enhanced Thompson sampling by roulette wheel selection for screening ultralarge combinatorial libraries基于轮盘赌选择增强的汤普森采样方法用于筛选超大型组合库
errJournal of Cheminformatics
IF5.7
err2025-10-14
err0
errOAAI
errHongtao Zhao; Eva Nittinger; Melissa A. Yu; Symon Gathiaka; W. Patrick Walters; Christian Tyrchan
err分享
err收藏
AI-Augmented R-Group Exploration in Medicinal Chemistry
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2025-02-17
err0
errOAAI
errZhao, Hongtao; Kwapien, Karolina; Nittinger, Eva; Tyrchan, Christian; Nilsson, Magnus; Berglund, Susanne; Czechtizky, Werngard
err分享
err收藏
Challenge for Deep Learning: Protein Structure Prediction of Ligand-Induced Conformational Changes at Allosteric and Orthosteric Sites
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2024-11-01
err0
PREAI
errOlanders, Gustav; Testa, Giulia; Tibo, Alessandro; Nittinger, Eva; Tyrchan, Christian
err分享
err收藏
Evaluation of reinforcement learning in transformer-based molecular design基于变压器的分子设计中强化学习的评价
errJOURNAL OF CHEMINFORMATICS
IF5.7
err2024-08-08
err1
errOAAI
errHe, Jiazhen; Tibo, Alessandro; Janet, Jon Paul; Nittinger, Eva; Tyrchan, Christian; Czechtizky, Werngard; Engkvist, Ola
err分享
err收藏
Utilizing reinforcement learning for de novo drug design利用强化学习进行从头药物设计
errMACHINE LEARNING
IF2.9
err2024-04-08
err1
errOAAI
errGummesson Svensson, Hampus; Tyrchan, Christian; Engkvist, Ola; Haghir Chehreghani, Morteza
err分享
err收藏
Augmenting DMTA using predictive AI modelling at AstraZeneca在阿斯利康使用预测AI模型增强DMTA
errDRUG DISCOVERY TODAY
IF7.5
err2024-04-01
err9
errOAAI
errGhiandoni, Gian Marco; Evertsson, Emma; Riley, David J.; Tyrchan, Christian; Rathi, Prakash Chandra
err分享
err收藏
Similarity-based pairing improves efficiency of siamese neural networks for regression tasks and uncertainty quantification
errJOURNAL OF CHEMINFORMATICS
IF5.7
err2023-08-30
err6
errOAAI
errZhang, Yumeng; Menke, Janosch; He, Jiazhen; Nittinger, Eva; Tyrchan, Christian; Koch, Oliver; Zhao, Hongtao
err分享
err收藏
The Role of Allylic Strain for Conformational Control in Medicinal Chemistry
errJOURNAL OF MEDICINAL CHEMISTRY
IF6.8
err2023-06-07
err8
PREAI
errZhao, Hongtao; Branalt, Jonas; Perry, Matthew; Tyrchan, Christian
err分享
err收藏
Combining structural and coevolution information to unveil allosteric sites
errCHEMICAL SCIENCE
IF7.4
err2023-01-01
err5
errOAAI
errLa Sala, Giuseppina; Pfleger, Christopher; Kack, Helena; Wissler, Lisa; Nevin, Philip; Bohm, Kerstin; Janet, Jon Paul; Schimpl, Marianne; Stubbs, Christopher J.; De Vivo, Marco; Tyrchan, Christian; Hogner, Anders; Gohlke, Holger; Frolov, Andrey I.
err分享
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Implications of Additivity and Nonadditivity for Machine Learning and Deep Learning Models in Drug Design
errACS OMEGA
IF4.3
err2022-07-19
err11
errOAAI
errKwapien, Karolina; Nittinger, Eva; He, Jiazhen; Margreitter, Christian; Voronov, Alexey; Tyrchan, Christian
err分享
err收藏
Machine learning/molecular dynamic protein structure prediction approach to investigate the protein conformational ensemble
errSCIENTIFIC REPORTS
IF3.9
err2022-06-15
err21
errOAAI
errAudagnotto, Martina; Czechtizky, Werngard; De Maria, Leonardo; Kack, Helena; Papoian, Garegin; Tornberg, Lars; Tyrchan, Christian; Ulander, Johan
err分享
err收藏
Virtual Screening Expands the Non-Natural Amino Acid Palette for Peptide Optimization
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2022-06-14
err11
PREAI
errAmarasinghe, Kosala N.; De Maria, Leonardo; Tyrchan, Christian; Eriksson, Leif A.; Sadowski, Jens; Petrovic, Dusan
err分享
err收藏
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
err分享
err收藏
Impact of PROTAC Linker Plasticity on the Solution Conformations and Dissociation of the Ternary Complex
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2022-01-12
err46
PREAI
errWeerakoon, Dhanushka; Carbajo, Rodrigo J.; De Maria, Leonardo; Tyrchan, Christian; Zhao, Hongtao
err分享
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Nonadditivity in public and inhouse data: implications for drug design
errJOURNAL OF CHEMINFORMATICS
IF5.7
err2021-07-02
err12
errOAAI
errGogishvili, D.; Nittinger, E.; Margreitter, C.; Tyrchan, C.
err分享
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Unraveling the Allosteric Cross-Talk between the Coactivator Peptide and the Ligand-Binding Site in the Glucocorticoid Receptor
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2021-06-22
err10
errOAAI
errLa Sala, Giuseppina; Gunnarsson, Anders; Edman, Karl; Tyrchan, Christian; Hogner, Anders; Frolov, Andrey, I
err分享
err收藏
Mechanism-Based Insights into Removing the Mutagenicity of Aromatic Amines by Small Structural Alterations
errJOURNAL OF MEDICINAL CHEMISTRY
IF6.8
err2021-06-10
err15
PREAI
errShamovsky, Igor; Ripa, Lena; Narjes, Frank; Bonn, Britta; Schiesser, Stefan; Terstiege, Ina; Tyrchan, Christian
err分享
err收藏

研究方向

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