MetaQSAR platform: • Automated QSAR Modeling: Streamlines the entire QSAR workflow — from descriptor calculation to model validation — with minimal user input. • User-Friendly Interface: Intuitive GUI designed for both beginners and experienced users in cheminformatics and CADD. • Flexible Modes: Choose between Auto Mode for rapid model development and Manual Mode for advanced customization and fine-tuning. • Regulatory Compliance: Adheres to OECD principles ensuring scientifically valid and interpretable models. • Robust Feature Selection: Implements powerful algorithms like Genetic Algorithm, Random Forest, and Weka-based methods. • Comprehensive Validation: Supports internal, external, and cross-validation with applicability domain assessment and Y-randomization testing. • Case Study Proven: Demonstrated performance equal to or better than literature models across multiple real-world datasets.



AVI

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