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Engkvist, Ola
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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

De novo generated combinatorial library design:

Johansson, Simon Viet ; Haghir Chehreghani, Morteza ; Engkvist, Ola.
Digital Discovery.  3 (2024)  1 - p. 122-135 , 2024
Link: https://doi.org/10.1039/..
 
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3

AiZynthFinder 4.0: developments based on learnings from 3 y..:

Saigiridharan, Lakshidaa ; Hassen, Alan Kai ; Lai, Helen...
Journal of Cheminformatics.  16 (2024)  1 - p. , 2024
Link: https://doi.org/10.1186/..
 
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4

Generation of conformational ensembles of small molecules v..:

Viguera Diez, Juan ; Romeo Atance, Sara ; Engkvist, Ola.
Machine Learning: Science and Technology.  5 (2024)  2 - p. 025010 , 2024
Link: https://doi.org/10.1088/..
 
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5

Sample efficient reinforcement learning with active learnin..:

Dodds, Michael ; Guo, Jeff ; Löhr, Thomas...
Chemical Science.  15 (2024)  11 - p. 4146-4160 , 2024
Link: https://doi.org/10.1039/..
 
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6

QSARtuna: An Automated QSAR Modeling Platform for Molecular..:

Mervin, Lewis ; Voronov, Alexey ; Kabeshov, Mikhail.
Journal of Chemical Information and Modeling.  , 2024
Link: https://doi.org/10.1021/..
 
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7

Multi-omic analysis reveals VEGFR2, PI3K, and JNK mediate s..:

Woo, Laura A. ; Wintruba, Kaitlyn L. ; Wissmann, Bethany...
iScience.  , 2024
Link: https://doi.org/10.1016/..
 
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8

A data science roadmap for open science organizations engag..:

Edfeldt, Kristina ; Edwards, Aled M. ; Engkvist, Ola...
Nature Communications.  15 (2024)  1 - p. , 2024
Link: https://doi.org/10.1038/..
 
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9

Expanding the chemical space using a chemical reaction know..:

Rydholm, Emma ; Bastys, Tomas ; Svensson, Emma...
Digital Discovery.  3 (2024)  7 - p. 1378-1388 , 2024
Link: https://doi.org/10.1039/..
 
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10

Reinvent 4: Modern AI–driven generative molecule design:

Loeffler, Hannes H. ; He, Jiazhen ; Tibo, Alessandro...
Journal of Cheminformatics.  16 (2024)  1 - p. , 2024
Link: https://doi.org/10.1186/..
 
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11

The European Lead Factory: Results from a decade of collabo..:

van Vlijmen, Herman ; Pannifer, Andrew D. ; Cochrane, Phil...
Drug Discovery Today.  29 (2024)  3 - p. 103886 , 2024
Link: https://doi.org/10.1016/..
 
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12

An industrial evaluation of proteochemometric modelling: Pr..:

Stroobants, Astrid ; Mervin, Lewis H. ; Engkvist, Ola.
Artificial Intelligence in the Life Sciences.  4 (2023)  - p. 100079 , 2023
Link: https://doi.org/10.1016/..
 
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13

Understanding Intracellular Biology to Improve mRNA Deliver..:

Hunter, Morag Rose ; Cui, Lili ; Porebski, Benjamin Thomas...
Small Methods.  7 (2023)  9 - p. , 2023
Link: https://doi.org/10.1002/..
 
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14

Simultaneous inhibition of DNA-PK and Polϴ improves integra..:

Wimberger, Sandra ; Akrap, Nina ; Firth, Mike...
Nature Communications.  14 (2023)  1 - p. , 2023
Link: https://doi.org/10.1038/..
 
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15

Author Correction: DrugnomeAI is an ensemble machine-learni..:

Raies, Arwa ; Tulodziecka, Ewa ; Stainer, James...
Communications Biology.  6 (2023)  1 - p. , 2023
Link: https://doi.org/10.1038/..
 
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