Drug design is the process

Drug design is the process of discovering new medications by identifying compounds                                                   targets, such as proteins or enzymes. This is a critical part of modern pharmaceutical development.

Drug Design Process

• Target Identification
• Lead Compound Discovery
• Lead Optimization
• Preclinical and Clinical Trials

QSAR Overview
QSAR is a powerful computational technique used to predict the biological activity of chemical compounds based on their molecular structures. It establishes a relationship between molecular properties (descriptors) and the compound's ability to interact with biological systems.

QSAR Models
Common QSAR models include:

• Simple Linear Regression
• Multiple Linear Regression
• Neural Networks
• Support Vector Machines

Molecular Descriptors

• Molecular Weight: A measure of the mass of a molecule.
• LogP: A descriptor of a compound’s hydrophobicity, which affects its absorption and distribution.
• Topological Polar Surface Area (TPSA): A descriptor indicating the molecule’s ability to form hydrogen bonds.

Applications

• Drug Discovery
• Toxicity Prediction
• Environmental Impact Studies