Drug Discovery Fundamentals & Cheminformatics Basics — Hands-on

Build a strong foundation in modern small-molecule drug discovery and cheminformatics. From the R&D pipeline and target selection to chemical space, molecular properties and in-silico thinking, this module prepares you for downstream QSAR, virtual screening, docking and ADMET workflows in later tracks.

Drug Discovery Fundamentals & Cheminformatics Basics

Help Desk · WhatsApp

Session Index

Session 1 — Drug Discovery Landscape & R&D Pipeline Session 2 — Targets, Ligands & Chemical Space Session 3 — Cheminformatics Foundations & Toolchain Session 4 — Mini Capstone: From Brief to Design Sketch

Session 1

Fee: Rs 8800

Drug Discovery Landscape & R&D Pipeline

Pharma R&D lifecycle and discovery pipeline

discovery → preclinical → clinical attrition & decision gates small vs large molecules

Target product profiles and modality choices

TPP & unmet need small molecules / biologics / peptides risk/benefit framing

Role of in-silico methods in discovery

virtual screening QSAR & property prediction ADMET & risk triage

Session 2

Fee: Rs 11800

Targets, Ligands & Chemical Space

Target selection and validation concepts

genetic & pathway evidence phenotypic vs target-based druggability

Ligand types and binding basics

agonist / antagonist / inhibitor affinity & potency selectivity & off-targets

Chemical space and libraries

fragments & scaffolds HTS vs focused sets diversity vs depth

Session 3

Fee: Rs 14800

Cheminformatics Foundations & Toolchain

Molecular file formats and identifiers

SMILES / canonical SMILES InChI / InChIKey SDF / MOL2

Basic molecular properties and rules

MW, logP, HBD/HBA Lipinski & Veber rules alerts & red flags

Open-source toolchain overview

RDKit (Python) KNIME workflows Open Babel & CDK basics

Session 4

Fee: Rs 18800

Mini Capstone: From Brief to Design Sketch

Framing a simple discovery problem and constraints

Theory + Practical

Searching and curating a small virtual library

PubChem / ChEMBL concepts basic filters & rules simple prioritization grid

Deliverables: rationale, library sheet and next-step plan

spreadsheet with key properties one-page design note link to future QSAR/VS modules

PDF

Drug Discovery Fundamentals & Cheminformatics Basics Training | R&D Pipeline, Targets & Chemical Space

Drug Discovery Fundamentals & Cheminformatics Basics — Hands-on