Cell Painting: a decade of discovery and innovation in cellular imaging

S Seal, MA Trapotsi, O Spjuth, S Singh… - Nature …, 2024 - nature.com
Modern quantitative image analysis techniques have enabled high-throughput, high-content
imaging experiments. Image-based profiling leverages the rich information in images to …

Insights into Drug Cardiotoxicity from Biological and Chemical Data: The First Public Classifiers for FDA Drug-Induced Cardiotoxicity Rank

S Seal, O Spjuth, L Hosseini-Gerami… - Journal of Chemical …, 2024 - ACS Publications
Drug-induced cardiotoxicity (DICT) is a major concern in drug development, accounting for
10–14% of postmarket withdrawals. In this study, we explored the capabilities of chemical …

[HTML][HTML] A Decade in a Systematic Review: The Evolution and Impact of Cell Painting

S Seal, MA Trapotsi, O Spjuth, S Singh… - ArXiv, 2024 - ncbi.nlm.nih.gov
High-content image-based assays have fueled significant discoveries in the life sciences in
the past decade (2013–2023), including novel insights into disease etiology, mechanism of …

Improved Detection of Drug-Induced Liver Injury by Integrating Predicted In Vivo and In Vitro Data

S Seal, D Williams, L Hosseini-Gerami… - Chemical Research …, 2024 - ACS Publications
Drug-induced liver injury (DILI) has been a significant challenge in drug discovery, often
leading to clinical trial failures and necessitating drug withdrawals. Over the last decade, the …

Discovery of potent inhibitors of α-synuclein aggregation using structure-based iterative learning

RI Horne, EA Andrzejewska, P Alam… - Nature Chemical …, 2024 - nature.com
Abstract Machine learning methods hold the promise to reduce the costs and the failure
rates of conventional drug discovery pipelines. This issue is especially pressing for …

DrugGen: Advancing Drug Discovery with Large Language Models and Reinforcement Learning Feedback

M Sheikholeslami, N Mazrouei, Y Gheisari… - arXiv preprint arXiv …, 2024 - arxiv.org
Traditional drug design faces significant challenges due to inherent chemical and biological
complexities, often resulting in high failure rates in clinical trials. Deep learning …

Improved Detection of Drug-Induced Liver Injury by Integrating Predicted In Vivo and In Vitro Data

D Williams, L Hosseini-Gerami - 2024 - repository.cam.ac.uk
Drug-induced liver injury (DILI) has been a significant challenge in drug discovery, often
leading to clinical trial failures and necessitating drug withdrawals. Over the last decade, the …

Insights into Drug Cardiotoxicity from Biological and Chemical Data: The First Public Classifiers for FDA Drug-Induced Cardiotoxicity Rank

O Spjuth, L Hosseini-Gerami, S Singh - 2024 - repository.cam.ac.uk
Drug-induced cardiotoxicity (DICT) is a major concern in drug development, accounting for
10–14% of postmarket withdrawals. In this study, we explored the capabilities of chemical …

Integrating Pharmacokinetics and Quantitative Systems Pharmacology Approaches in Generative Drug Design

HW van den Maagdenberg, JM van Otterloo… - 2025 - chemrxiv.org
Integrated understanding of pharmacokinetics (PK) and pharmacodynamics (PD) is a key
aspect of successful drug discovery. Yet in generative computational drug design, the focus …

Using Cell Painting and Chemical Data for Small-molecule Bioactivity and Toxicity Prediction

S Seal - 2024 - repository.cam.ac.uk
High-content image-based assays have fueled significant discoveries in the life sciences in
the past decade, including novel insights into disease etiology, mechanism of action, new …