The application of artificial intelligence (AI) approaches to drug discovery for G protein‐
coupled receptors (GPCRs) is a rapidly expanding area. Artificial intelligence can be used at …

The complexity of the human sense of smell is increasingly reflected in complex and high-
dimensional data, which opens opportunities for data-driven approaches that complement …

Mammalian sense of smell is triggered by interaction between odorant molecules and a
class of proteins, called olfactory receptors (ORs). These receptors, expressed at the surface …

G protein-coupled receptors (GPCRs) conserve common structural folds and activation
mechanisms, yet their ligand spectra and functions are highly diverse. This work …

In the olfactory system, odorant receptors (ORs) expressed at the cell membrane of olfactory
sensory neurons detect odorants and direct sensory axons toward precise target locations in …

Humans have 396 unique, intact olfactory receptors (ORs), G-protein coupled receptors
(GPCRs) containing receptor-specific binding sites; other mammals have more. Activation of …

Highlights•The time is right for applying machine learning (ML) for GPCR drug
discovery.•For many GPCRs lacking 3D structure, ML ligand-based methods have replaced …

G protein-coupled receptors (GPCRs) are targets of many drugs, of which∼ 25% are
indicated for central nervous system (CNS) disorders. Drug promiscuity affects their efficacy …

With approximately 400 encoding genes in humans, odorant receptors (ORs) are the largest
subfamily of class AG protein-coupled receptors (GPCRs). Despite its high relevance and …

Musk was originally identified in male musk deer and other mammals to mark territories and
attract females. In humans, musk compounds are widely used in perfumes and consumer …