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Lucian Chan
Lucian Chan
Astex Pharmaceuticals
Verified email at astx.com
Title
Cited by
Cited by
Year
Bayesian optimization for conformer generation
L Chan, GR Hutchison, GM Morris
Journal of cheminformatics 11 (1), 32, 2019
522019
Understanding conformational entropy in small molecules
L Chan, GM Morris, GR Hutchison
Journal of Chemical Theory and Computation 17 (4), 2099-2106, 2021
332021
Understanding Ring Puckering in Small Molecules and Cyclic Peptides
L Chan, G Hutchison, G Morris
Journal of Chemical Information and Modeling, 2020
272020
Hyperparameter learning via distributional transfer
HC Law, P Zhao, LS Chan, J Huang, D Sejdinovic
Advances in Neural Information Processing Systems, 6801-6812, 2019
272019
BOKEI: Bayesian Optimization Using Knowledge of Correlated Torsions and Expected Improvement for Conformer Generation
L Chan, GR Hutchison, GM Morris
Physical Chemistry Chemical Physics, 2020
182020
Noise contrastive meta-learning for conditional density estimation using kernel mean embeddings
D Sejdinovic, YW Teh, JF Ton, L Chan
12*2021
Noise Contrastive Meta-Learning for Conditional Density Estimation using Kernel Mean Embeddings
JF Ton, L Chan, YW Teh, D Sejdinovic
arXiv preprint arXiv:1906.02236, 2019
122019
A multilevel generative framework with hierarchical self-contrasting for bias control and transparency in structure-based ligand design
L Chan, R Kumar, M Verdonk, C Poelking
Nature Machine Intelligence 4 (12), 1130-1142, 2022
82022
Embracing assay heterogeneity with neural processes for markedly improved bioactivity predictions
L Chan, M Verdonk, C Poelking
arXiv preprint arXiv:2308.09086, 2023
2023
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Articles 1–9