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Samuel Genheden

Showing results (41-50 of 66) with videos related to

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Journal of Cheminformatics|December 8, 2025
SMARTS-RX: a SMARTS-based representation of chemical functions for reactivity analysisThierry Kogej, Christos Kannas, Samuel Genheden, et al.
Biotechnology and Bioengineering|September 30, 2015
Sphingolipids contribute to acetic acid resistance in Zygosaccharomyces bailiiLina Lindahl, Samuel Genheden, Leif A Eriksson, et al.
Journal of Chemical Information and Modeling|December 20, 2023
When Yield Prediction Does Not Yield Prediction: An Overview of the Current ChallengesVarvara Voinarovska, Mikhail Kabeshov, Dmytro Dudenko, et al.
Journal of Chemical Information and Modeling|July 12, 2024
Finding Relevant Retrosynthetic Disconnections for Stereocontrolled ReactionsOlaf Wiest, Christoph Bauer, Paul Helquist, et al.
Journal of Cheminformatics|April 4, 2024
Using test-time augmentation to investigate explainable AI: inconsistencies between method, model and human intuitionPeter B R Hartog, Fabian Krüger, Samuel Genheden, et al.
Journal of Computer-Aided Molecular Design|December 27, 2011
Binding affinities in the SAMPL3 trypsin and host-guest blind tests estimated with the MM/PBSA and LIE methodsPaulius Mikulskis, Samuel Genheden, Patrik Rydberg, et al.
Journal of Chemical Information and Modeling|January 31, 2025
Investigations into the Efficiency of Computer-Aided Synthesis PlanningPeter B R Hartog, Annie M Westerlund, Igor V Tetko, et al.
Journal of the American Chemical Society|July 7, 2011
Accurate predictions of nonpolar solvation free energies require explicit consideration of binding-site hydrationSamuel Genheden, Paulius Mikulskis, LiHong Hu, et al.
Molecular Informatics|February 5, 2022
Prediction of the Chemical Context for Buchwald-Hartwig Coupling ReactionsSamuel Genheden, Agnes Mårdh, Gustav Lahti, et al.
Journal of Computer-Aided Molecular Design|February 4, 2014
Extensive all-atom Monte Carlo sampling and QM/MM corrections in the SAMPL4 hydration free energy challengeSamuel Genheden, Ana I Cabedo Martinez, Michael P Criddle, et al.
Pageof 7

Showing results (41-50 of 66) with videos related to

Sort By:
Pageof 7
Journal of Cheminformatics|December 8, 2025
SMARTS-RX: a SMARTS-based representation of chemical functions for reactivity analysisThierry Kogej, Christos Kannas, Samuel Genheden, et al.
Biotechnology and Bioengineering|September 30, 2015
Sphingolipids contribute to acetic acid resistance in Zygosaccharomyces bailiiLina Lindahl, Samuel Genheden, Leif A Eriksson, et al.
Journal of Chemical Information and Modeling|December 20, 2023
When Yield Prediction Does Not Yield Prediction: An Overview of the Current ChallengesVarvara Voinarovska, Mikhail Kabeshov, Dmytro Dudenko, et al.
Journal of Chemical Information and Modeling|July 12, 2024
Finding Relevant Retrosynthetic Disconnections for Stereocontrolled ReactionsOlaf Wiest, Christoph Bauer, Paul Helquist, et al.
Journal of Cheminformatics|April 4, 2024
Using test-time augmentation to investigate explainable AI: inconsistencies between method, model and human intuitionPeter B R Hartog, Fabian Krüger, Samuel Genheden, et al.
Journal of Computer-Aided Molecular Design|December 27, 2011
Binding affinities in the SAMPL3 trypsin and host-guest blind tests estimated with the MM/PBSA and LIE methodsPaulius Mikulskis, Samuel Genheden, Patrik Rydberg, et al.
Journal of Chemical Information and Modeling|January 31, 2025
Investigations into the Efficiency of Computer-Aided Synthesis PlanningPeter B R Hartog, Annie M Westerlund, Igor V Tetko, et al.
Journal of the American Chemical Society|July 7, 2011
Accurate predictions of nonpolar solvation free energies require explicit consideration of binding-site hydrationSamuel Genheden, Paulius Mikulskis, LiHong Hu, et al.
Molecular Informatics|February 5, 2022
Prediction of the Chemical Context for Buchwald-Hartwig Coupling ReactionsSamuel Genheden, Agnes Mårdh, Gustav Lahti, et al.
Journal of Computer-Aided Molecular Design|February 4, 2014
Extensive all-atom Monte Carlo sampling and QM/MM corrections in the SAMPL4 hydration free energy challengeSamuel Genheden, Ana I Cabedo Martinez, Michael P Criddle, et al.
Pageof 7