JDescriptor: A Dual-Platform Molecular Descriptor Calculator for QSAR Education | iLRF2025 Entry

Описание: Welcome to our official entry for the iLRF e-Inovasi 2025 Video Competition under the Interactive Learning & Mobile Apps category.

🌟Project Title:
JDescriptor: Molecular Descriptor Calculation in Chemical Education and Research

🔍 About the Project:
JDescriptor is an innovative, open-source tool designed to simplify and democratize access to QSAR modeling education. It calculates over 15,700 interpretable molecular descriptors through both desktop and web platforms, with integrated 3D molecular visualization using Jmol.

🧪 Key Features:

Dual-platform (desktop + web) for wider accessibility
15,717 descriptors including 1D, 2D, 3D, fingerprints
Complete CSV outputs with zero missing values
Fast performance (0.66 to 4.39 seconds per molecule)
Integration with popular data science workflows
Designed for students, educators, and researchers

📚 Impact on Learning:
JDescriptor enhances students’ understanding of structure-activity relationships (SAR) by visualizing chemical structure data interactively, bridging theory with practical skills in cheminformatics and computational chemistry.

👨‍🏫 Developed by:
Gaurav Masand – B.E. AI & Data Science
Prof. Long Chiau Ming – Deputy Dean, Sunway University

🎓 Competition:
Submitted as part of the iLRF2025 e-Inovasi Competition, under the Interactive Learning Experience & Mobile Apps category.