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Reducing False Positive Drug Target Predictions

Target prediction with machine learning algorithms can help accelerate the identification of protein targets of hit molecules, limiting the number […]

Siamese Recurrent Neural Network for Small Molecule Drug Discovery

Despite being applied successfully to image recognition, Siamese recurrent neural network has rarely been explored in drug discovery. A recent […]

Predicting Moonlighting Proteins Using Machine Learning

Moonlighting proteins are a subclass of multifunctional proteins, which play an important role in disease pathways and drug-target discovery. As […]

An Overview of AI/ML for CNS Drug Discovery

Due to the complex nature of central nervous system diseases and the presence of the blood-brain barrier (among other factors), […]

Characterising Multi-Target Compounds Using ML

A recent study, published in Scientific Reports, designed a test system using machine learning to systematically examine the structural features […]

Rapid ML Screening Identifies Potential Drug Compounds For SARS-CoV-2

At the time of writing, there have been 137 million cases and nearly 3 million deaths from COVID-19. Although some targets […]

Epigenetic Target Fishing Using ML

Epigenetic targets are of significant importance in drug discovery research, and there is increasing availability of chemogenomic data related to […]

WELM-SURF: Predicting Drug-Target Interactions

Predicting novel drug-target interactions plays an important role in identifying new drug candidates and finding new proteins to target. An […]

New Model to Reduce AI Bias in Drug Development

We summarize a recent study, published in Communications Biology, that outlines a new framework to audit and reduce AI bias […]

Multimodality MRI and ML techniques in bipolar disorder identification

Researchers have combined structural and functional magnetic resonance imaging (MRI) with machine learning (ML) techniques to aid in accurately identifying […]