Calculating molecule properties in Asteris

Using Asteris you can calculate a range of simple “core properties”, such as logP, molecular weight, polar surface area and numbers of hydrogen bond donors and acceptors, and predict a number of key ADME properties, including solubility, hERG inhibition and CNS penetration, using rigorously valid...

Using the Glowing Molecule to interpret property predictions in Asteris

Predictive models capture information about the relationship between the structures of compounds and their properties. Asteris’ models help to visualise these structure-activity relationships by providing a Glowing Molecule™ representation for each prediction, indicating the parts of the molecule...

Managing libraries of molecules in Asteris

Managing libraries of molecules in Asteris

Editing molecules in Asteris.mp4

The asteris app enables you to create and edit molecules using a series of simple gestures. These are illustrated in this short video.

Searching eMolecules from StarDrop

This short video illustrates how a seamless link to eMolecules' comprehensive database of commercially available compounds helps to design new, high quality compounds that are synthetically accessible using building blocks that can be easily purchased.

Linking 2D and 3D SAR with the SeeSAR Module

This short video illustrates how you can visualise the structure of protein-ligand complexes in the SeeSAR module, seamlessly linking 2- and 3-dimensional structure-activity relationships, to guide the design of potent, high quality compounds.

Introduction to P450 Module

This short movie gives an introduction to StarDrop's P450 metabolism module which enables you to quickly identify the regions of your molecules that are most vulnerable to metabolism by the major drug metabolising isoforms of cytochrome P450.

StarDrop - Installing a Fixed License Key

StarDrop - Installing a Site License Key

StarDrop - Installing a Floating License Key

Tutorial: Matched Series Analysis

The objective in this worked example is to identify new derivatives that are likely to improve activity at their target, given the SAR already generated on a project. This example uses a publically available set of Human Chymotrypsin Ki data and searches the ChEMBL pIC50 knowledge base (generated...

Break Free from Chemical Spreadsheets - Introducing Card View

This webinar was broadcast on 24 November 2014 and introduces Card View, a unique approach to working with compounds and data in the context of a discovery project. This 'breaks free' from chemical spreadsheets to enable you to arrange, stack and link compounds to reflect the way you think about ...

Copy and Paste From StarDrop

This short video gives a quick overview of copying and pasting between StarDrop and other desktop software.

Query Interface

This short video illustrates how StarDrop's Query Interface provides a seamless link to your in-house databases, enabling you to create, share and run queries through a user-friendly interface, returning the data directly in StarDrop for analysis, visualisation and design.

eMolecules

The eMolecules plug-in for StarDrop enables you to search for commercially available compounds.

Pose Generation Interface

A demo of StarDrop's Pose Generation Interface that provides a universal link with platforms for 3D compound docking and alignment. This enables enables users to seamlessly run expertly prepared 3D docking and alignment models and evaluate multiple iterations of designs, in combination with StarD...