Generating property-matched decoy molecules using deep learning

por Imrie, Fergus, Bradley, Anthony R, Deane, Charlotte M
Publicado 2021

Deep generative design with 3D pharmacophoric constraints

por Imrie, Fergus, Hadfield, Thomas E., Bradley, Anthony R., Deane, Charlotte M.
Publicado 2021

AutoPrognosis 2.0: Democratizing diagnostic and prognostic modeling in healthcare with automated machine learning

por Imrie, Fergus, Cebere, Bogdan, McKinney, Eoin F., van der Schaar, Mihaela
Publicado 2023

Deep Generative Models for 3D Linker Design

por Imrie, Fergus, Bradley, Anthony R., van der Schaar, Mihaela, Deane, Charlotte M.
Publicado 2020

Incorporating Target-Specific Pharmacophoric Information into Deep Generative Models for Fragment Elaboration

por Hadfield, Thomas E., Imrie, Fergus, Merritt, Andy, Birchall, Kristian, Deane, Charlotte M.
Publicado 2022

Assessing eligibility for lung cancer screening using parsimonious ensemble machine learning models: A development and validation study

por Callender, Thomas, Imrie, Fergus, Cebere, Bogdan, Pashayan, Nora, Navani, Neal, van der Schaar, Mihaela, Janes, Sam M.
Publicado 2023