[HTML][HTML] Integrating structure-based approaches in generative molecular design

M Thomas, A Bender, C de Graaf - Current Opinion in Structural Biology, 2023 - Elsevier
Generative molecular design for drug discovery and development has seen a recent
resurgence promising to improve the efficiency of the design-make-test-analyse cycle; by …

3d brain and heart volume generative models: A survey

Y Liu, G Dwivedi, F Boussaid, M Bennamoun - ACM Computing Surveys, 2024 - dl.acm.org
Generative models such as generative adversarial networks and autoencoders have gained
a great deal of attention in the medical field due to their excellent data generation capability …

[HTML][HTML] Equitable modelling of brain imaging by counterfactual augmentation with morphologically constrained 3d deep generative models

G Pombo, R Gray, MJ Cardoso, S Ourselin, G Rees… - Medical Image …, 2023 - Elsevier
We describe CounterSynth, a conditional generative model of diffeomorphic deformations
that induce label-driven, biologically plausible changes in volumetric brain images. The …

3D brain MRI GAN-based synthesis conditioned on partial volume maps

F Rusak, R Santa Cruz, P Bourgeat, C Fookes… - … and Synthesis in …, 2020 - Springer
In this paper, we propose a framework for synthesising 3D brain T1-weighted (T1-w) MRI
images from Partial Volume (PV) maps for the purpose of generating synthetic MRI volumes …

Deep Variational Lesion-Deficit Mapping

G Pombo, R Gray, APK Nelson, C Foulon… - arXiv preprint arXiv …, 2023 - arxiv.org
Causal mapping of the functional organisation of the human brain requires evidence of\textit
{necessity} available at adequate scale only from pathological lesions of natural origin. This …

Thinking like a structural biologist: A pocket-based 3D molecule generative model fueled by electron density

L Wang, R Bai, X Shi, W Zhang, Y Cui, X Wang… - bioRxiv, 2022 - biorxiv.org
We report for the first time the use of experimental electron density (ED) as training data for
the generation of drug-like three-dimensional molecules based on the structure of a target …

Overcoming Challenges in Automated Neuroimaging Analysis: Learning from Heterogeneous Data with Limited Supervision

T Varsavsky - 2024 - discovery.ucl.ac.uk
Clinical neuroimaging using magnetic resonance imaging (MRI) is crucial for diagnosis and
prognosis of most neurological pathologies including but not limited to brain cancers, stroke …