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Molecular Operating Environment

Integrated Computer-Aided Molecular Design Platform

Small Molecules - Peptides - Biologics

Jump to videos

CCG Video Library

Ligand-Based Design

MOEsaic: The Application of Matched Molecular Pair Analysis to SAR Exploration

With the increasing size of data sets and the parallel development of multiple structural series in medicinal chemistry project...
Nov-21-2023

MOEsaic: Mining Activity Data to Guide a Medicinal Chemistry Campaign

Matched Molecular Pair analysis on an activity data set enables finding activity cliffs and bioisosteres, providing insight on ...
Nov-21-2023

Computing molecular properties for a database of small molecules using Calculate Descriptors

This video shows how to compute molecular properties for a database of molecules for tasks such as filtering, building QSAR mod...
Nov-21-2023

Preparing an SDF file for use in MOE

This video shows how to prepare an SDF file for use in MOE such as docking, generating conformations or QSAR modeling. [link]...
Oct-18-2023

Pharmacophore Search

This video shows how to perform a Pharmacophore Search to find novel compounds based on their pharmacophoric features. [link...
Oct-18-2023

🆕 Matched Molecular Pairs for Interactive SAR Analysis

This video shows how to explore Matched Molecular Pairs in MOEsaic. This is useful to identify activity cliffs and bioisosteri...
Feb-24-2025

Introduction to MOEsaic for Interactive SAR Analysis

This video shows how to upload a dataset to a local MOEsaic instance, and perform basic searches to first identify if a given c...
Feb-06-2025
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