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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 […]

A new workflow for drug discovery bypasses current inefficiencies

Researchers from the Laboratory of Computational Systems Biotechnology at EPFL, Switzerland, have developed a database – NICEdrug.ch – that could […]

The role of artificial intelligence (AI) and big data in drug discovery

For the first time, a review explored in depth how big data and artificial intelligence (AI) techniques are currently being […]

Emerging AI/ML Technologies for Drug Discovery

It is widely known that the traditional drug discovery and development process is extremely time-consuming, expensive and challenging; taking an […]

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), […]

AlzGPS: A Genome-Wide Positioning Systems Platform for Alzheimer’s Drug Discovery

Recent DNA/RNA sequencing and other multi-omics technologies have advanced our understanding of the biology and pathophysiology of Alzheimer’s disease. However, […]

DrugCentral2021 – A Database for Drug Discovery and Repositioning

A recent study has described the new DrugCentral2021 database, which is a public resource that serves the scientific community by […]

Marine Natural Products Database for Drug Discovery

Marine organisms are expected to be an important source of inspiration for drug discovery. At present, very few databases exist […]

Bootstrapped Machine Learning for Characterising Compounds in Drug Discovery

Researchers from Purdue University have created a new method of bootstrapped machine learning applied to the tandem mass spectrometry process, […]

Bayesian Machine Learning Strategy Identifies Anti-Schistosomal Small Molecules

Recent research has identified anti-schistosomal small molecules based on a Bayesian machine learning strategy for drug discovery. Schistosomiasis Schistosomiasis is […]