Using human in vitro transcriptome analysis to build trustworthy machine learning models for prediction of animal drug toxicity
- 2020
- Scientific Reports
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31 results for Edward Pyzer-Knapp
Accelerating computational discovery of porous solids through improved navigation of energy-structure-function maps
- Edward Pyzer-Knapp
- Linjiang Chen
- et al.
- 2021
- Science Advances
Interpreting machine learning models to investigate circadian regulation and facilitate exploration of clock function
- Laura Gardiner
- Rachel Rusholme-Pilcher
- et al.
- 2021
- PNAS
Bayesian optimization for field scale geological carbon sequestration
- Xueying Lu
- Kirk E. Jordan
- et al.
- 2021
- RSC 2021
Heterogeneous Computing Systems for Complex Scientific Discovery Workflows
- 2021
- DATE 2021
A Physics Inspired Approach to the Understanding of Molecular Representations and Models
- Luke Dicks
- David Graff
- et al.
- 2024
- MSDE
Insights into machine learning models from chemical physics: an energy landscapes approach (EL for ML)
- Maximilian P. Niroomand
- Luke Dicks
- et al.
- 2024
- Digital Discovery
Evaluating the roughness of structure-property relationships using pretrained molecular representations
- David E. Graff
- Edward O. Pyzer-Knapp
- et al.
- 2023
- Digital Discovery
Streaming histogram sketching for rapid microbiome analytics
- Will P. M. Rowe
- Anna Paola Carrieri
- et al.
- 2019
- Microbiome
Bayesian Self-Optimization for Telescoped Continuous Flow Synthesis
- Adam D. Clayton
- Edward O. Pyzer-Knapp
- et al.
- 2022
- Angewandte Chemie - International Edition