Tag: drug discovery

Researchers have unveiled a hybrid AI framework that combines logical rule-learning with large language models to generate drug candidate molecules ...

A new dual-view graph neural network called HD-SKRG achieves state-of-the-art few-shot molecular property prediction by combining hierarchical atom and functional-group ...

Insilico Medicine executives will speak at premier healthcare and AI summits in New York, Riyadh, Shanghai and Boston this September, ...

An AI-driven screening pipeline identified the fungal sterol 5,6-epoxyergosterol as a selective LXRβ agonist that exploits the cholesterol dependency of ...

A synthetic azobenzenoid compound called CaCS2 shows broad-spectrum activity against Leishmania amazonensis and Trypanosoma cruzi with low human cell toxicity, ...

A new computational study shows that piperine, the pungent alkaloid of black pepper, binds the Parkinson's-related MAO-B enzyme more strongly ...

A new review in Molecular Diversity charts the rapid rise of dual PROTACs, single molecules engineered to destroy two disease-driving ...

Marking the 25th anniversary of Nature Reviews Cancer, six leading researchers assess the transformative advances and unfulfilled expectations of a ...

Paired structural snapshots of GPR84 in different conformational states, combined with immune cell assays, reveal how ligands activate, block or ...

Chemists at Chongqing University report the first catalytic asymmetric synthesis of chiral 2-azaspiroheptanes, delivering a powerful new piperidine bioisostere for ...