Samuel Genheden

ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2016-2024
Publications (10 Years): 25

Top Venues

Journal of chemical information and modeling

Organic letters

The Journal of organic chemistry

Journal of computer-aided molecular design

AstraZeneca

Lunds Universitet (PHD)

This page only lists publications with an associated author ORCID identifier.

Affiliation History

AstraZeneca Jan 20 2020

Sweden

Data scientist / Software engineer :: Hit Discovery, Discovery Sciences, R&D

Göteborgs Universitet Jul 01 2016 - Feb 28 2018

Sweden

Postdoctor :: Department of Chemistry and Molecular Biology

University of Southampton

United Kingdom

Postdoctoral Research Fellow

Göteborgs universitet Institutionen för kemi

Sweden

Researcher

Lunds Universitet

Sweden

PhD student

Örebro Universitet

Sweden

Project worker

Education History

Lunds Universitet

Sweden

PHD

Örebro Universitet

Sweden

MSC

Hogskolan i Skovde

Sweden

BSC

Publications

Annie M Westerlund, Siva Manohar Koki, Supriya Kancharla, Alessandro Tibo, Lakshidaa Saigiridharan, Mikhail Kabeshov, Rocío Mercado, Samuel Genheden
Do Chemformers Dream of Organic Matter? Evaluating a Transformer Model for Multistep Retrosynthesis. Journal of chemical information and modeling (2024)
Annie M Westerlund, Siva Manohar Koki, Supriya Kancharla, Alessandro Tibo, Lakshidaa Saigiridharan, Mikhail Kabeshov, Rocío Mercado, Samuel Genheden
Do Chemformers Dream of Organic Matter? Evaluating a Transformer Model for Multistep Retrosynthesis. Journal of chemical information and modeling 64 (8) (2024)
Olaf G Wiest, Christoph Alexander Bauer, Paul Helquist, Per-Ola Norrby, Samuel Genheden
Finding Relevant Retrosynthetic Disconnections for Stereocontrolled Reactions. Journal of chemical information and modeling (2024)
Annie M Westerlund, Siva Manohar Koki, Supriya Kancharla, Alessandro Tibo, Lakshidaa Saigiridharan, Mikhail Kabeshov, Rocío Mercado, Samuel Genheden
Do Chemformers Dream of Organic Matter? Evaluating a Transformer Model for Multistep Retrosynthesis. Journal of chemical information and modeling 64 (8) (2024)
Annie M Westerlund, Siva Manohar Koki, Supriya Kancharla, Alessandro Tibo, Lakshidaa Saigiridharan, Mikhail Kabeshov, Rocío Mercado, Samuel Genheden
Do Chemformers Dream of Organic Matter? Evaluating a Transformer Model for Multistep Retrosynthesis. Journal of chemical information and modeling 64 (8) (2024)
Annie M Westerlund, Siva Manohar Koki, Supriya Kancharla, Alessandro Tibo, Lakshidaa Saigiridharan, Mikhail Kabeshov, Rocío Mercado, Samuel Genheden
Do Chemformers Dream of Organic Matter? Evaluating a Transformer Model for Multistep Retrosynthesis. Journal of chemical information and modeling 64 (8) (2024)
Olaf G Wiest, Christoph Alexander Bauer, Paul Helquist, Per-Ola Norrby, Samuel Genheden
Finding Relevant Retrosynthetic Disconnections for Stereocontrolled Reactions. Journal of chemical information and modeling 64 (15) (2024)
Michael P Maloney, Connor W Coley, Samuel Genheden, Nessa Carson, Paul Helquist, Per-Ola Norrby, Olaf G Wiest
Negative Data in Data Sets for Machine Learning Training. Organic letters 25 (17) (2023)
Michael P Maloney, Connor W Coley, Samuel Genheden, Nessa Carson, Paul Helquist, Per-Ola Norrby, Olaf G Wiest
Negative Data in Data Sets for Machine Learning Training. Organic letters (2023)
Varvara Voinarovska, Mikhail Kabeshov, Dmytro Dudenko, Samuel Genheden, Igor V Tetko
When Yield Prediction Does Not Yield Prediction: An Overview of the Current Challenges. Journal of chemical information and modeling 64 (1) (2023)
Michael P Maloney, Connor W Coley, Samuel Genheden, Nessa Carson, Paul Helquist, Per-Ola Norrby, Olaf G Wiest
Negative Data in Data Sets for Machine Learning Training. The Journal of organic chemistry 88 (9) (2023)
Michael P Maloney, Connor W Coley, Samuel Genheden, Nessa Carson, Paul Helquist, Per-Ola Norrby, Olaf G Wiest
Negative Data in Data Sets for Machine Learning Training. Organic letters 25 (17) (2023)
Samuel Genheden, Per-Ola Norrby, Ola Engkvist
AiZynthTrain: Robust, Reproducible, and Extensible Pipelines for Training Synthesis Prediction Models. Journal of chemical information and modeling (2023)
Varvara Voinarovska, Mikhail Kabeshov, Dmytro Dudenko, Samuel Genheden, Igor V Tetko
When Yield Prediction Does Not Yield Prediction: An Overview of the Current Challenges. Journal of chemical information and modeling 64 (1) (2023)
Varvara Voinarovska, Mikhail Kabeshov, Dmytro Dudenko, Samuel Genheden, Igor V Tetko
When Yield Prediction Does Not Yield Prediction: An Overview of the Current Challenges. Journal of chemical information and modeling 64 (1) (2023)
Varvara Voinarovska, Mikhail Kabeshov, Dmytro Dudenko, Samuel Genheden, Igor V Tetko
When Yield Prediction Does Not Yield Prediction: An Overview of the Current Challenges. Journal of chemical information and modeling 64 (1) (2023)
Michael P Maloney, Connor W Coley, Samuel Genheden, Nessa Carson, Paul Helquist, Per-Ola Norrby, Olaf G Wiest
Negative Data in Data Sets for Machine Learning Training. The Journal of organic chemistry (2023)
Varvara Voinarovska, Mikhail Kabeshov, Dmytro Dudenko, Samuel Genheden, Igor V Tetko
When Yield Prediction Does Not Yield Prediction: An Overview of the Current Challenges. Journal of chemical information and modeling (2023)
Michael P Maloney, Connor W Coley, Samuel Genheden, Nessa Carson, Paul Helquist, Per-Ola Norrby, Olaf G Wiest
Negative Data in Data Sets for Machine Learning Training. The Journal of organic chemistry 88 (9) (2023)
Varvara Voinarovska, Mikhail Kabeshov, Dmytro Dudenko, Samuel Genheden, Igor V Tetko
When Yield Prediction Does Not Yield Prediction: An Overview of the Current Challenges. Journal of chemical information and modeling 64 (1) (2023)
Samuel Genheden, Ola Engkvist, Esben Jannik Bjerrum
Clustering of Synthetic Routes Using Tree Edit Distance. Journal of chemical information and modeling 61 (8) (2021)
Christoffer Olsson, Samuel Genheden, Victoria García Sakai, Jan Swenson
Mechanism of Trehalose-Induced Protein Stabilization from Neutron Scattering and Modeling. The journal of physical chemistry. B 123 (17) (2019)
Samuel Genheden
Solvation free energies and partition coefficients with the coarse-grained and hybrid all-atom/coarse-grained MARTINI models. Journal of computer-aided molecular design 31 (10) (2017)
Francesco Manzoni, Jon Uranga, Samuel Genheden, Ulf Ryde
Can System Truncation Speed up Ligand-Binding Calculations with Periodic Free-Energy Simulations? Journal of chemical information and modeling 57 (11) (2017)
Samuel Genheden, Jonathan W Essex
All-atom/coarse-grained hybrid predictions of distribution coefficients in SAMPL5. Journal of computer-aided molecular design 30 (11) (2016)

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Publication Activity (10 Years)

Top Topics

Top Venues

Samuel Genheden