Cheminformatics and QSAR

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

Interactive Database Filtering

This video shows how to analyze, visualize, and interactively filter a database of molecules using the Filter Database applicat...
Dec-17-2024

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

MOE Database Viewer: Advanced Molecular and Data Visualization

This webinar focuses on the advanced visualization capabilities of the MOE Database Viewer. Topics include 2D and 3D molecule d...
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

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

CLE: An Interactive Web-Based Combinatorial Library Enumerator

This video covers the Web-Based Combinatorial Library Enumerator in MOE. [link]video.chemcomp[d]com/watch/oamYtMVNqacZ9dnJLB1C...
Oct-18-2023

Introducing CLE: An Interactive Web-Based Combinatorial Library Enumerator

MOE’s new Combinatorial Library Enumerator application is designed to help chemists select suitable reagents from available com...
Dec-18-2023

Combinatorial Library Enumeration for Structure-Based Drug Design

A thorough investigation of possible substituents around a molecular core which we wish to preserve is a common way forward in ...
Nov-21-2023

New and Enhanced Features in MOE 2024.06

CCG is pleased to announce the 2024 release of the Molecular Operating Environment, MOE. In this webinar we will present new fe...
Oct-03-2024