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Marwin Segler

Showing results (1-10 of 10) with videos related to

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Current Opinion in Structural Biology|July 20, 2023
Fake it until you make it? Generative de novo design and virtual screening of synthesizable moleculesMegan Stanley, Marwin Segler
Chemistry (Weinheim an Der Bergstrasse, Germany)|July 28, 2015
Dehydrogenative TEMPO-Mediated Formation of Unstable Nitrones: Easy Access to N-Carbamoyl IsoxazolinesAndrea Gini, Marwin Segler, Dominik Kellner, et al.
The Journal of Organic Chemistry|February 22, 2011
Silver-catalyzed 1,3-dipolar cycloaddition of azomethine ylides with β-boryl acrylatesAna López-Pérez, Marwin Segler, Javier Adrio, et al.
Nature Communications|November 1, 2023
Extracting medicinal chemistry intuition via preference machine learningOh-Hyeon Choung, Riccardo Vianello, Marwin Segler, et al.
Nature Reviews. Chemistry|April 28, 2023
Evaluation guidelines for machine learning tools in the chemical sciencesAndreas Bender, Nadine Schneider, Marwin Segler, et al.
Journal of Chemical Information and Modeling|April 22, 2022
RetroGNN: Fast Estimation of Synthesizability for Virtual Screening and De Novo Design by Learning from Slow Retrosynthesis SoftwareCheng-Hao Liu, Maksym Korablyov, Stanisław Jastrzębski, et al.
Journal of Chemical Information and Modeling|January 17, 2022
Improving Few- and Zero-Shot Reaction Template Prediction Using Modern Hopfield NetworksPhilipp Seidl, Philipp Renz, Natalia Dyubankova, et al.
Journal of Chemical Information and Modeling|July 24, 2023
PREFER: A New Predictive Modeling Framework for Molecular DiscoveryJessica Lanini, Gianluca Santarossa, Finton Sirockin, et al.
Scientific Data|April 24, 2026
Accurate Chemistry Collection: Coupled cluster atomization energies for broad chemical spaceSebastian Ehlert, Jan Hermann, Thijs Vogels, et al.
Nature Reviews. Drug Discovery|September 11, 2023
Artificial intelligence for natural product drug discoveryMichael W Mullowney, Katherine R Duncan, Somayah S Elsayed, et al.
Pageof 1

Showing results (1-10 of 10) with videos related to

Sort By:
Pageof 1
Current Opinion in Structural Biology|July 20, 2023
Fake it until you make it? Generative de novo design and virtual screening of synthesizable moleculesMegan Stanley, Marwin Segler
Chemistry (Weinheim an Der Bergstrasse, Germany)|July 28, 2015
Dehydrogenative TEMPO-Mediated Formation of Unstable Nitrones: Easy Access to N-Carbamoyl IsoxazolinesAndrea Gini, Marwin Segler, Dominik Kellner, et al.
The Journal of Organic Chemistry|February 22, 2011
Silver-catalyzed 1,3-dipolar cycloaddition of azomethine ylides with β-boryl acrylatesAna López-Pérez, Marwin Segler, Javier Adrio, et al.
Nature Communications|November 1, 2023
Extracting medicinal chemistry intuition via preference machine learningOh-Hyeon Choung, Riccardo Vianello, Marwin Segler, et al.
Nature Reviews. Chemistry|April 28, 2023
Evaluation guidelines for machine learning tools in the chemical sciencesAndreas Bender, Nadine Schneider, Marwin Segler, et al.
Journal of Chemical Information and Modeling|April 22, 2022
RetroGNN: Fast Estimation of Synthesizability for Virtual Screening and De Novo Design by Learning from Slow Retrosynthesis SoftwareCheng-Hao Liu, Maksym Korablyov, Stanisław Jastrzębski, et al.
Journal of Chemical Information and Modeling|January 17, 2022
Improving Few- and Zero-Shot Reaction Template Prediction Using Modern Hopfield NetworksPhilipp Seidl, Philipp Renz, Natalia Dyubankova, et al.
Journal of Chemical Information and Modeling|July 24, 2023
PREFER: A New Predictive Modeling Framework for Molecular DiscoveryJessica Lanini, Gianluca Santarossa, Finton Sirockin, et al.
Scientific Data|April 24, 2026
Accurate Chemistry Collection: Coupled cluster atomization energies for broad chemical spaceSebastian Ehlert, Jan Hermann, Thijs Vogels, et al.
Nature Reviews. Drug Discovery|September 11, 2023
Artificial intelligence for natural product drug discoveryMichael W Mullowney, Katherine R Duncan, Somayah S Elsayed, et al.
Pageof 1