Marwin H S Segler (Marwin Segler)

Publication Activity (10 Years)

Years Active: 2019-2023
Publications (10 Years): 6

Top Topics

Convolutional Neural Network

Molecular Dynamics Simulations

Artificial Intelligence

Top Venues

Journal of chemical information and modeling

Chemical Society reviews

Journal of the Royal Society, Interface

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

Publications

Jessica Lanini, Gianluca Santarossa, Finton Sirockin, Richard A Lewis, Nikolas Fechner, Hubert Misztela, Sarah Lewis, Krzysztof Maziarz, Megan Stanley, Marwin H S Segler, Nikolaus Stiefl, Nadine Schneider
PREFER: A New Predictive Modeling Framework for Molecular Discovery. Journal of chemical information and modeling (2023)
Philipp Seidl, Philipp Renz, Natalia Dyubankova, Paulo Neves, Jonas Verhoeven, Joerg Kurt Wegner, Marwin H S Segler, Sepp Hochreiter, Günter Klambauer
Improving Few- and Zero-Shot Reaction Template Prediction Using Modern Hopfield Networks. Journal of chemical information and modeling 62 (9) (2022)
Cheng-Hao Liu, Maksym Korablyov, Stanisław Jastrzębski, Paweł Włodarczyk-Pruszyński, Yoshua Bengio, Marwin H S Segler
RetroGNN: Fast Estimation of Synthesizability for Virtual Screening and De Novo Design by Learning from Slow Retrosynthesis Software. Journal of chemical information and modeling 62 (10) (2022)
Felix Strieth-Kalthoff, Frederik Sandfort, Marwin H S Segler, Frank Glorius
Machine learning the ropes: principles, applications and directions in synthetic chemistry. Chemical Society reviews 49 (17) (2020)
Travers Ching, Daniel Scott Himmelstein, Brett K Beaulieu-Jones, Alexandr A Kalinin, Brian T Do, Gregory P Way, Enrico Ferrero, Paul-Michael Agapow, Michael Zietz, Michael M Hoffman, Wei Xie, Gail L Rosen, Benjamin J Lengerich, Johnny Israeli, Jack Lanchantin, Stephen Woloszynek, Anne E Carpenter, Avanti Shrikumar, Jinbo Xu, Evan M Cofer, Christopher A Lavender, Srinivas C Turaga, Amr M Alexandari, Zhiyong Lu, David J Harris, Dave DeCaprio, Yanjun Qi, Anshul Kundaje, Yifan Peng, Laura K Wiley, Marwin H S Segler, Simina M Boca, S Joshua Swamidass, Austin Huang, Anthony Gitter, Casey S Greene
Opportunities and obstacles for deep learning in biology and medicine. Journal of the Royal Society, Interface 15 (141) (2019)
Nathan Brown, Marco Fiscato, Marwin H S Segler, Alain C Vaucher
GuacaMol: Benchmarking Models for de Novo Molecular Design. Journal of chemical information and modeling 59 (3) (2019)