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Tyrchan, Christian
123  Ergebnisse:
Personensuche X
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1

Utilizing reinforcement learning for de novo drug design:

Gummesson Svensson, Hampus ; Tyrchan, Christian ; Engkvist, Ola.
Machine Learning.  113 (2024)  7 - p. 4811-4843 , 2024
Link: https://doi.org/10.1007/..
 
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2

Modeling PROTAC degradation activity with machine learning:

Ribes, Stefano ; Nittinger, Eva ; Tyrchan, Christian.
Artificial Intelligence in the Life Sciences.  6 (2024)  - p. 100104 , 2024
Link: https://doi.org/10.1016/..
 
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3

Augmenting DMTA using predictive AI modelling at AstraZenec:

Ghiandoni, Gian Marco ; Evertsson, Emma ; Riley, David J...
Drug Discovery Today.  29 (2024)  4 - p. 103945 , 2024
Link: https://doi.org/10.1016/..
 
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4

The Role of Allylic Strain for Conformational Control in Me..:

Zhao, Hongtao ; Brånalt, Jonas ; Perry, Matthew.
Journal of Medicinal Chemistry.  66 (2023)  12 - p. 7730-7755 , 2023
Link: https://doi.org/10.1021/..
 
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5

Combining structural and coevolution information to unveil ..:

La Sala, Giuseppina ; Pfleger, Christopher ; Käck, Helena...
Chemical Science.  14 (2023)  25 - p. 7057-7067 , 2023
Link: https://doi.org/10.1039/..
 
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6

Similarity-based pairing improves efficiency of siamese neu..:

Zhang, Yumeng ; Menke, Janosch ; He, Jiazhen...
Journal of Cheminformatics.  15 (2023)  1 - p. , 2023
Link: https://doi.org/10.1186/..
 
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7

Contributors:

, In: Computational and Data-Driven Chemistry Using Artificial Intelligence,
Akitsu, Takashiro ; Bissadi, Golnaz ; Cauchy, Thomas... - p. ix-x , 2022
Link: https://doi.org/10.1016/..
 
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8

Impact of PROTAC Linker Plasticity on the Solution Conforma..:

Weerakoon, Dhanushka ; Carbajo, Rodrigo J. ; De Maria, Leonardo..
Journal of Chemical Information and Modeling.  62 (2022)  2 - p. 340-349 , 2022
Link: https://doi.org/10.1021/..
 
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9

Surprising lipophilicity observations identify unexpected c..:

Perry, Matthew W.D. ; Börjesson, Ulf ; Nikitidis, Antonios.
Bioorganic & Medicinal Chemistry Letters.  69 (2022)  - p. 128786 , 2022
Link: https://doi.org/10.1016/..
 
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10

Machine learning/molecular dynamic protein structure predic..:

Audagnotto, Martina ; Czechtizky, Werngard ; De Maria, Leonardo...
Scientific Reports.  12 (2022)  1 - p. , 2022
Link: https://doi.org/10.1038/..
 
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11

Using Active Learning to Develop Machine Learning Models fo..:

Viet Johansson, Simon ; Gummesson Svensson, Hampus ; Bjerrum, Esben...
Molecular Informatics.  41 (2022)  12 - p. , 2022
Link: https://doi.org/10.1002/..
 
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12

Transformer-based molecular optimization beyond matched mol..:

He, Jiazhen ; Nittinger, Eva ; Tyrchan, Christian...
Journal of Cheminformatics.  14 (2022)  1 - p. , 2022
Link: https://doi.org/10.1186/..
 
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13

Autonomous Drug Design with Multi-Armed Bandits:

, In: 2022 IEEE International Conference on Big Data (Big Data),
Svensson, Hampus Gummesson ; Jannik Bjerrum, Esben ; Tyrchan, Christian.. - p. 5584-5592 , 2022
Link: https://doi.org/10.1109/..
 
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14

Implications of Additivity and Nonadditivity for Machine Le..:

Kwapien, Karolina ; Nittinger, Eva ; He, Jiazhen...
ACS Omega.  7 (2022)  30 - p. 26573-26581 , 2022
Link: https://doi.org/10.1021/..
 
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15

Approaches using AI in medicinal chemistry:

, In: Computational and Data-Driven Chemistry Using Artificial Intelligence,
Tyrchan, Christian ; Nittinger, Eva ; Gogishvili, Dea.. - p. 111-159 , 2022
Link: https://doi.org/10.1016/..
 
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