PREDIT (Predictive Research Engine for Drug Innovation and Testing) X (eXpansion: continuous module growth and feature upgrades)
A powerful AI-driven virtual screening platform developed by Pharmaeconomica that transforms complex chemical and biological data into clear, actionable insights for drug discovery.
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Traditional methods require extensive lab testing—costly and slow. ML rapidly identifies potential drug candidates from vast data sources like ChEMBL.
ML predictions dramatically reduce research costs and timelines. Quickly pinpoint promising molecules and discard inactive ones before expensive lab work.
End-to-end automation, from data collection through external predictions. No manual steps required.
Scaffold-based splitting provides realistic assessment of ML models, ensuring robust predictions.
Combines Morgan fingerprints and diverse Mordred descriptors with effective feature selection to remove redundant data.
Employs diverse ML methods (Random Forest, XGBoost, SVM, Neural Networks, and more) with thorough hyperparameter tuning for optimal results.
Clear logs, downloadable visualizations, data files, and trained models for easy interpretation and reproducibility.
Instantly predict activity of new molecules uploaded by you, applying trained models to your own compounds.
Minimize uncertainty in predictions by combining outputs from multiple models in an ensemble. Available as an optional feature for external dataset predictions.
Users can now select a large pre-loaded dataset (up to 500,000 molecules) for bulk virtual screening directly inside the platform. Ideal for massive screening without file upload.
Medicinal chemists looking for actionable compounds quickly
Computational scientists needing robust, reproducible ML pipelines
Researchers aiming to reduce experimental costs and lab resources
Teams working across chemistry, biology, and informatics disciplines
Enter your protein target of interest
Automated steps guide you through
Detailed, easy-to-interpret findings
Leverage predictions for discovery
Explore PreditX today to streamline your drug discovery workflow. Contact us directly to collaborate, provide feedback, or request additional features. We continually expand the platform to meet your evolving needs.