SwissADME

SwissADME predicts physicochemical properties, pharmacokinetics (ADME), drug-likeness, and medicinal chemistry friendliness of small molecules to support early-stage drug discovery candidate assessment.

Key Features:

• Predictive models for physicochemical properties: Estimates various physicochemical properties of small molecules relevant to their behavior in biological systems.
• Pharmacokinetics (ADME) assessment: Predicts absorption, distribution, metabolism, and excretion–related properties to inform pharmacokinetic profiles.
• Drug-likeness evaluation: Evaluates drug-likeness of molecules using computational models to identify candidates with favorable properties.
• Medicinal chemistry friendliness: Assesses medicinal chemistry friendliness to indicate amenability to chemical modification and optimization.
• In-house specialized methods: Incorporates BOILED-Egg, iLOGP, and Bioavailability Radar for specialized predictive tasks within the drug discovery process.

Scientific Applications:

• Early-stage candidate prioritization: Enables rapid in silico assessment of ADME, physicochemical properties, drug-likeness, and medicinal chemistry friendliness to prioritize small-molecule candidates.
• Support for high-throughput and virtual screening: Provides computational predictions for collections of molecules to supplement experimental screening when resources or samples are limited.

Methodology:

Employs computational models and in-house methods, including BOILED-Egg, iLOGP, and Bioavailability Radar, to predict physicochemical properties, ADME-related pharmacokinetics, drug-likeness, and medicinal chemistry friendliness.