Author/Creator: Genheden, Samuel - British Library Electronic Legal Deposit Catalogue-Journal Issues and Articles Search Results

Author/Creator Genheden, Samuel

1. AI-assisted synthesis prediction. (December 2019)

Authors:: Johansson, Simon; Thakkar, Amol; Kogej, Thierry; Bjerrum, Esben; Genheden, Samuel; Bastys, Tomas; Kannas, Christos; Schliep, Alexander; Chen, Hongming; Engkvist, Ola
Journal:: Drug discovery today
Issue:: Volume 32/33(2019)
Page Start:: 65
Record Type:: Journal Article
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2. Binding affinities by alchemical perturbation using QM/MM with a large QM system and polarizable MM model. Issue 28 (17th August 2015)

Authors:: Genheden, Samuel; Ryde, Ulf; Söderhjelm, Pär
Journal:: Journal of computational chemistry
Issue:: Volume 36:Issue 28(2015)
Page Start:: 2114
Record Type:: Journal Article
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3. Fast prediction of distances between synthetic routes with deep learning. Issue 1 (21st January 2022)

Authors:: Genheden, Samuel; Engkvist, Ola; Bjerrum, Esben
Journal:: Machine learning: science and technology
Issue:: Volume 3:Issue 1(2022)
Page Start:
Record Type:: Journal Article
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4. PaRoutes: towards a framework for benchmarking retrosynthesis route predictions. (19th July 2022)

Authors:: Genheden, Samuel; Bjerrum, Esben
Journal:: Digital discovery
Issue:: Volume 1:Number 4(2022)
Page Start:: 527
Record Type:: Journal Article
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5. Prediction of the Chemical Context for Buchwald‐Hartwig Coupling Reactions. Issue 8 (22nd February 2022)

Authors:: Genheden, Samuel; Mårdh, Agnes; Lahti, Gustav; Engkvist, Ola; Olsson, Simon; Kogej, Thierry
Journal:: Molecular informatics
Issue:: Volume 41:Issue 8(2022)
Page Start:: n/a
Record Type:: Journal Article
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6. Sphingolipids contribute to acetic acid resistance in Zygosaccharomyces bailii. Issue 4 (10th December 2015)

Authors:: Lindahl, Lina; Genheden, Samuel; Eriksson, Leif A.; Olsson, Lisbeth; Bettiga, Maurizio
Journal:: Biotechnology and bioengineering
Issue:: Volume 113:Issue 4(2016)
Page Start:: 744
Record Type:: Journal Article
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7. The MM/PBSA and MM/GBSA methods to estimate ligand-binding affinities. (May 2015)

Authors:: Genheden, Samuel; Ryde, Ulf
Journal:: Expert opinion on drug discovery
Issue:: Volume 10:Number 5(2015:May)
Page Start:: 449
Record Type:: Journal Article
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