Phytochemical Activity Prediction Tool
Phytochemical Activity Prediction Tool, enables rapid in silico screening of phytochemicals by predicting their biological activities and ADME profiles from chemical structure. Users can input canonical SMILES notations to receive predictions across five major activity categories—antiviral, anti-inflammatory, antioxidant, antimicrobial, and anticancer—along with detailed ADME (Absorption, Distribution, Metabolism, and Excretion) properties. Powered by machine learning and trained on curated datasets, it supports efficient lead identification and reduces reliance on early experimental screening.
Learn More- Efficient Lead Discovery: Quickly identifies phytochemicals with potential antiviral, anti-inflammatory, antioxidant, antimicrobial, and anticancer properties.
- Reduced Experimental Burden: Minimizes the need for extensive wet-lab screening in early drug discovery stages.
- Comprehensive ADME Profiling: Predicts key pharmacokinetic parameters like solubility, logP, TPSA, and bioavailability, supporting compound prioritization.
- Supports Rational Drug Design: Facilitates molecular optimization by providing detailed physicochemical and structural property breakdowns.
- User-Friendly Interface: Accepts simple SMILES input and returns interpretable predictions, making it accessible to researchers with varied expertise levels.