MedChem Designer

MedChem Designer: Cheminformatics Software

MedChem Designer is cheminformatics software used for computer-aided drug design. It features tools for drawing chemical structures, calculating physicochemical properties, analyzing drug-likeness, performing virtual screening, and more.

What is MedChem Designer?

MedChem Designer is a cheminformatics software suite developed by Simulations Plus for computer-aided drug design. It integrates a broad range of tools for medicinal chemists to facilitate hit identification, lead optimization, and preclinical candidate nomination.

Key features include:

• 2D sketchers for quickly drawing chemical structures
• Predictive models for calculating physicochemical properties like solubility, permeability, PK parameters, etc.
• Versatile structure and substructure search capabilities
• Powerful virtual screening workflows to search compound libraries
• Analyses for assessing synthetic accessibility, drug-likeness, and toxicity
• Visualization, analysis and management of screening data
• Custom protocol builder to automate workflows
• Seamless integration with other modeling platforms like GastroPlus and ADMET Predictor

By consolidating these tools into a single platform optimized for drug discovery, MedChem Designer aims to help medicinal chemists be more productive in identifying and optimizing high quality lead compounds.

MedChem Designer Features

Official Links