Publications

34 results for Edward Pyzer-Knapp

Roughness of Molecular Property Landscapes and Its Impact on Modellability
- - Matteo Aldeghi
  - David E. Graff
  - et al.
- 2022
- J. Chem. Inf. Model.
Paper
A Principled Method for the Creation of Synthetic Multi-Fidelity Data Sets
- - Clyde Fare
  - Peter Fenner
  - et al.
- 2022
- arXiv
Paper
Self-Focusing Virtual Screening with Active Design Space Pruning
- - David E. Graff
  - Matteo Aldeghi
  - et al.
- 2022
- J. Chem. Inf. Model.
Paper
Accelerating materials discovery using artificial intelligence, high performance computing and robotics
- - Edward O. Pyzer-Knapp
  - Jed W. Pitera
  - et al.
- 2022
- npj Computational Materials
Paper
Combining explainable machine learning, demographic and multi-omic data to inform precision medicine strategies for inflammatory bowel disease
- - Laura-Jayne Gardiner
  - Anna Paola Carrieri
  - et al.
- 2022
- PLoS ONE
Paper
Bayesian optimization for field scale geological carbon sequestration
- - Xueying Lu
  - Kirk E. Jordan
  - et al.
- 2021
- RSC 2021
Conference paper
Accelerating computational discovery of porous solids through improved navigation of energy-structure-function maps
- - Edward Pyzer-Knapp
  - Linjiang Chen
  - et al.
- 2021
- Science Advances
Paper
Interpreting machine learning models to investigate circadian regulation and facilitate exploration of clock function
- - Laura Gardiner
  - Rachel Rusholme-Pilcher
  - et al.
- 2021
- PNAS
Paper
Explainable AI reveals changes in skin microbiome composition linked to phenotypic differences
- - Anna Paola Carrieri
  - Niina Haiminen
  - et al.
- 2021
- Scientific Reports
Paper
Heterogeneous Computing Systems for Complex Scientific Discovery Workflows
- - Christoph Hagleitner
  - Dionysios Diamantopoulos
  - et al.
- 2021
- DATE 2021
Conference paper