Tag: drug discovery

A two-decade bibliometric analysis of nearly 5,000 studies maps how small molecule drug research transformed lung cancer therapy, revealing China's ...

Researchers used QSAR modelling and molecular docking to identify pyridine-based oxazolidinone derivatives that bind the bacterial ribosome more tightly than ...

A new Nature Machine Intelligence commentary argues that biomedical discovery now requires deep research agents that construct explicit representations of ...

Chemists in India have synthesized a simple oligophenyl vinyl compound, CNR2, that matches vitamin C as an antioxidant and diclofenac ...

Researchers combined LightGBM, Random Forest, and XGBoost models with docking and molecular dynamics simulations to identify three novel serotonin transporter ...

A sweeping review of 2020-2025 literature shows that Mannich-type multicomponent reactions have become the fastest, greenest route to piperazine-based molecules ...

Researchers report a solvent-free, one-pot Hantzsch synthesis of biologically important polyhydroquinoline derivatives using a recyclable Brønsted acid catalyst that delivers ...

Researchers have developed an adversarial attack framework that rotates molecular torsion angles within strict physical validity constraints, revealing consistent vulnerabilities ...

Researchers in Thailand have built an interpretable stacked machine learning framework called Meta-iPPAR that accurately predicts PPAR-γ agonists and identified ...

Researchers have developed KTransPose, a dual-branch graph neural network framework that reduces protein-ligand pose errors by roughly 12 percent on ...