PharmoInformatics Lab
AI in Drug Discovery • Computational Drug Design • Pharmacophore Modeling • QSAR & ADMET Analysis
About PharmoInformatics Lab
PharmoInformatics Lab is an academic and research-focused initiative dedicated to advancing computational drug discovery through artificial intelligence, QSAR modeling, pharmacophore modeling, and structure-based design.
Our mission is to bridge the gap between theoretical cheminformatics and practical drug discovery by providing open-source tools, reproducible workflows, and hands-on training workshops for students, researchers, and industry professionals.
Our Research Tools
RANQSAR — Reproducible QSAR Modeling with Machine Learning
RANQSAR is an open-source QSAR modeling suite designed for reproducible, statistically rigorous machine learning workflows in drug discovery. It provides an intuitive, GUI-driven pipeline for dataset preparation, descriptor generation, model training, validation, applicability domain assessment, and batch prediction—built for academic labs, postgraduate training, and research teams.
PharmoSB — Direction-Aware Structure-Based Pharmacophore Modeling
PharmoSB is an open-source structure-based pharmacophore modeling and virtual screening platform designed for accurate, geometry-aware hit identification in computer-aided drug design. The software enables researchers to generate receptor-derived pharmacophore hypotheses directly from protein–ligand complexes and perform high-throughput conformer-based screening with unified scoring.
PharmoSB integrates core and optional feature handling, direction-aware matching, exclusion volume constraints, and best-conformer selection into a single, GUI-driven workflow. The platform is optimized for academic research, postgraduate training, and structure-guided virtual screening studies requiring reproducibility and scientific rigor.
Our Future Projects
PharmoLIG: A ligand based Pharmacophore modelling platform
PharmoADMT: A tool for the prediction of ADMET profile of the drugs
Workshops & Trainings
Hands-on, research-focused training programs designed for students, researchers, and industry professionals in computational drug discovery.
PharmoSB Pharmacophore Workshop
Price: ₹499 only
14–15 March 2026 • 7:00–8:00 PM IST
Master structure-based pharmacophore modeling, virtual screening, and scoring using PharmoSB. Includes live demonstrations and practical workflows.
Limited seats • Live interactive session
RANQSAR Handson Workshop
Price: ₹499 only
28–29 March 2026 • 7:00–8:00 PM IST
Price: ₹499 only
28–29 March 2026 • 7:00–8:00 PM IST
Learn end-to-end machine learning–based QSAR modeling using the RANQSAR platform, including dataset preparation, model development, validation, and prediction workflows.
Limited seats • Live interactive session