Molecular descriptors and ligand databases are the foundation of Ligand-Based Drug Design (LBDD), enabling researchers to represent, analyze, and filter compounds effectively. This course provides participants with an in-depth understanding of molecular descriptors and hands-on training in exploring public ligand databases.

Guided by Eka Gunarti Ningsih, S.Pd., M.Si. (Bioinformatics Research Center – INBIO), this course blends theory and practice, equipping learners with the ability to retrieve ligands, calculate descriptors, and apply filtering strategies for drug-likeness assessment.

•  Fundamentals of Molecular Descriptors: Introduction to Molecular Representation in Drug Design, Types of Molecular Descriptors, Applications of Molecular Descriptors in LBDD
•  Ligand Databases and Resources: Overview of Ligand Databases, Key Public Databases, Database Applications in LBDD
•  Hands-On: Ligand Retrieval from Databases, Descriptor Calculation, Drug-Likeness and Filtering