A review on the recent applications of deep learning in predictive drug toxicological studies

K Sinha, N Ghosh, PC Sil - Chemical Research in Toxicology, 2023 - ACS Publications
Drug toxicity prediction is an important step in ensuring patient safety during drug design
studies. While traditional preclinical studies have historically relied on animal models to …

Morphological profiling for drug discovery in the era of deep learning

Q Tang, R Ratnayake, G Seabra, Z Jiang… - Briefings in …, 2024 - academic.oup.com
Morphological profiling is a valuable tool in phenotypic drug discovery. The advent of high-
throughput automated imaging has enabled the capturing of a wide range of morphological …

Molecule-morphology contrastive pretraining for transferable molecular representation

CQ Nguyen, D Pertusi, KM Branson - arXiv preprint arXiv:2305.09790, 2023 - arxiv.org
Image-based profiling techniques have become increasingly popular over the past decade
for their applications in target identification, mechanism-of-action inference, and assay …

Pretraining graph transformer for molecular representation with fusion of multimodal information

R Chen, C Li, L Wang, M Liu, S Chen, J Yang, X Zeng - Information Fusion, 2025 - Elsevier
Molecular representation learning (MRL) is essential in certain applications including drug
discovery and life science. Despite advancements in multiview and multimodal learning in …

How Molecules Impact Cells: Unlocking Contrastive PhenoMolecular Retrieval

P Fradkin, P Azadi, K Suri, F Wenkel… - arXiv preprint arXiv …, 2024 - arxiv.org
Predicting molecular impact on cellular function is a core challenge in therapeutic design.
Phenomic experiments, designed to capture cellular morphology, utilize microscopy based …

Weakly Supervised Cross-Modal Learning in High-Content Screening

G Watkinson, E Cohen, N Bourriez… - 2024 IEEE …, 2024 - ieeexplore.ieee.org
With the surge in available data from various modalities, there is a growing need to bridge
the gap between different data types. In this work, we introduce a novel approach to learn …

A Systematic Comparison of Single-Cell Perturbation Response Prediction Models

L Li, Y You, W Liao, X Fan, S Lu, Y Cao, B Li, W Ren… - bioRxiv, 2024 - biorxiv.org
Predicting single-cell transcriptomes following perturbation is crucial for understanding gene
regulation and guiding drug discovery. Yet, the complexity of perturbation effects pose …

Weakly supervised cross-model learning in high-content screening

W Gabriel, C Ethan, B Nicolas, B Ihab… - arXiv preprint arXiv …, 2023 - arxiv.org
With the surge in available data from various modalities, there is a growing need to bridge
the gap between different data types. In this work, we introduce a novel approach to learn …

Deep learning in phenotypic drug discovery: a survey

B Li, W Huang, W Zhao, C Zhao, J Wang, Y Wang - Authorea Preprints, 2024 - techrxiv.org
The advent of high-throughput automated imaging technology has enabled us to capture
various morphological features of single cells under different perturbations at single-cell …

Molphenix: A Multimodal Foundation Model for PhenoMolecular Retrieval

P Fradkin, PA Moghadam, K Suri, F Wenkel… - Neurips 2024 Workshop … - openreview.net
Predicting molecular impact on cellular function is a core challenge in therapeutic design.
Phenomic experiments, designed to capture cellular morphology, utilize microscopy based …