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Lucy Colwell
Lucy Colwell
Nonlinear system
Data mining
catalytic hydrogenation
Inference
Experimental Bias
4
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Meaningful machine learning models and machine-learned pharmacophores from fragment screening campaigns.
2022
CoRR
Carl Poelking
Gianni Chessari
Christopher W. Murray
Richard J. Hall
Lucy Colwell
Marcel L. Verdonk
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AI3SD Video: Machine Learning for biological sequence design
2021
Lucy Colwell
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Evaluating Attribution for Graph Neural Networks
2020
| Annual Conference on Neural Information Processing Systems
Benjamin Sánchez Lengeling
Jennifer Wei
Brian Lee
Emily Reif
Peter Wang
Wesley Wei Qian
Kevin McCloskey
Lucy Colwell
Wiltschko, Alexander
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Noisy, sparse, nonlinear: Navigating the Bermuda Triangle of physical inference with deep filtering
2019
arXiv: Chemical Physics
Carl Poelking
Yehia Amar
Alexei A. Lapkin
Lucy Colwell
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