Puck Van Gerwen (Puck van Gerwen)

Publication Activity (10 Years)

Years Active: 2023-2024
Publications (10 Years): 9

Top Topics

Structural Basis

Top Venues

Journal of chemical information and modeling

Chemical science

Digital discovery

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

Publications

Simone Gallarati, Puck Van Gerwen, Milagros Medina, Lucien Brey, Alexander Makaveev, Clémence Corminbœuf
A genetic optimization strategy with generality in asymmetric organocatalysis as a primary target. Chemical science 15 (10) (2024)
Puck Van Gerwen, Ksenia R Briling, Charlotte Bunne, Vignesh Ram Somnath, Milagros Medina, Andreas Krause, Clémence Corminbœuf
3DReact: Geometric Deep Learning for Chemical Reactions. Journal of chemical information and modeling 64 (15) (2024)
Puck Van Gerwen, Ksenia R Briling, Yannick Calvino Alonso, Malte Franke, Clémence Corminbœuf
Benchmarking machine-readable vectors of chemical reactions on computed activation barriers. Digital discovery 3 (5) (2024)
Puck Van Gerwen, Ksenia R Briling, Charlotte Bunne, Vignesh Ram Somnath, Milagros Medina, Andreas Krause, Clémence Corminbœuf
3DReact: Geometric Deep Learning for Chemical Reactions. Journal of chemical information and modeling 64 (15) (2024)
Puck Van Gerwen, Ksenia R Briling, Yannick Calvino Alonso, Malte Franke, Clémence Corminbœuf
Benchmarking machine-readable vectors of chemical reactions on computed activation barriers. Digital discovery 3 (5) (2024)
Simone Gallarati, Puck Van Gerwen, Milagros Medina, Lucien Brey, Alexander Makaveev, Clémence Corminbœuf
A genetic optimization strategy with generality in asymmetric organocatalysis as a primary target. Chemical science 15 (10) (2024)
Puck Van Gerwen, Ksenia R Briling, Charlotte Bunne, Vignesh Ram Somnath, Milagros Medina, Andreas Krause, Clémence Corminbœuf
3DReact: Geometric Deep Learning for Chemical Reactions. Journal of chemical information and modeling (2024)
Puck Van Gerwen, Ksenia R Briling, Charlotte Bunne, Vignesh Ram Somnath, Milagros Medina, Andreas Krause, Clémence Corminbœuf
3DReact: Geometric Deep Learning for Chemical Reactions. Journal of chemical information and modeling 64 (15) (2024)
Simone Gallarati, Puck Van Gerwen, Alexandre A Schoepfer, Milagros Medina, Clémence Corminbœuf
Genetic Algorithms for the Discovery of Homogeneous Catalysts. Chimia 77 (1-2) (2023)