Edward O Pyzer-Knapp

Publication Activity (10 Years)

Years Active: 2019-2024
Publications (10 Years): 9

Top Topics

Machine Learning

Highly Efficient

Top Venues

Nature chemistry

Journal of chemical information and modeling

Proceedings of the National Academy of Sciences of the United States of America

Science advances

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

Publications

Xiaobo Li, Yu Che, Linjiang Chen, Tao Liu, Kewei Wang, Lunjie Liu, Haofan Yang, Edward O Pyzer-Knapp, Andrew I Cooper
Sequential closed-loop Bayesian optimization as a guide for organic molecular metallophotocatalyst formulation discovery. Nature chemistry (2024)
Xiaobo Li, Yu Che, Linjiang Chen, Tao Liu, Kewei Wang, Lunjie Liu, Haofan Yang, Edward O Pyzer-Knapp, Andrew I Cooper
Sequential closed-loop Bayesian optimization as a guide for organic molecular metallophotocatalyst formulation discovery. Nature chemistry 16 (8) (2024)
Xiaobo Li, Yu Che, Linjiang Chen, Tao Liu, Kewei Wang, Lunjie Liu, Haofan Yang, Edward O Pyzer-Knapp, Andrew I Cooper
Sequential closed-loop Bayesian optimization as a guide for organic molecular metallophotocatalyst formulation discovery. Nature chemistry 16 (8) (2024)
Xiaobo Li, Yu Che, Linjiang Chen, Tao Liu, Kewei Wang, Lunjie Liu, Haofan Yang, Edward O Pyzer-Knapp, Andrew I Cooper
Sequential closed-loop Bayesian optimization as a guide for organic molecular metallophotocatalyst formulation discovery. Nature chemistry 16 (8) (2024)
Matteo Aldeghi, David E Graff, Nathan C Frey, Joseph A Morrone, Edward O Pyzer-Knapp, Kirk E Jordan, Connor W Coley
Roughness of Molecular Property Landscapes and Its Impact on Modellability. Journal of chemical information and modeling 62 (19) (2022)
David E Graff, Matteo Aldeghi, Joseph A Morrone, Kirk E Jordan, Edward O Pyzer-Knapp, Connor W Coley
Self-Focusing Virtual Screening with Active Design Space Pruning. Journal of chemical information and modeling 62 (16) (2022)
Laura-Jayne Gardiner, Rachel L Rusholme-Pilcher, Joshua Colmer, Hannah Rees, Juan Manuel Crescente, Anna Paola Carrieri, Susan Duncan, Edward O Pyzer-Knapp, Ritesh Krishna, Anthony J W Hall
Interpreting machine learning models to investigate circadian regulation and facilitate exploration of clock function. Proceedings of the National Academy of Sciences of the United States of America 118 (32) (2021)
Edward O Pyzer-Knapp, Linjiang Chen, Graeme M Day, Andrew I Cooper
Accelerating computational discovery of porous solids through improved navigation of energy-structure-function maps. Science advances 7 (33) (2021)
James L McDonagh, Ardita Shkurti, David J Bray, Richard L Anderson, Edward O Pyzer-Knapp
Utilizing Machine Learning for Efficient Parameterization of Coarse Grained Molecular Force Fields. Journal of chemical information and modeling 59 (10) (2019)