Author: Tímea Polgár

markush

Patent Space Exploration: an application of Markush structure enumeration and search

May 17, 2011 - Presentation
ChemAxon and Thomson Reuters have recently concluded a partnership to enable storage and search and advanced visualization of Thomson Reuters content, involving the Merged Markush Service…
micooo

Drug Discovery in the sandbox

Sep 15, 2010 - Presentation
Four scientists muddy their paws in early phase drug discovery. Bravely our heroes apply ChemAxon’s discovery tools in their challenge. Will they succeed? Will you? All-star toolkit…
cluster

Clustering of Small Molecules Based on Similarity Scores From Flexible 3D Alignment

Feb 15, 2013 - Poster
There are several approaches for clustering chemical structures. Among these, the structure-based methods and techniques using classical 2D descriptors (e.g. chemical fingerprints or ECFP…
mico

Ligand based virtual screening using Screen3D

May 18, 2011 - Poster
Fully flexible 3D alignment method without the need for sampling the conformational space is presented. This approach offers advantages over methods that rely on multiple conformations. (…
knimetimi

Virtual library generation using KNIME

May 19, 2010 - Presentation
Showing one example workflow for a focused library generation; the generated virtual library by Reactor will be further processed to find the most similar compounds to a given active set …
Product: KNIME
timi

Features and applications for IP challenges - working with ChemAxon Markush technology

Sep 28, 2011 - Presentation
Features and applications for IP challenges – working with ChemAxon Markush technology ChemAxon and Thomson Reuters have recently concluded a partnership to enable storage and …
3dtimi

3D visualization for medicinal chemists

May 28, 2013 - Presentation
A typical medicinal chemist research scenario involves more and more 3D molecular modelling. Current components utilized in visualization and manipulation of experimetal X-ray structures …
mikiszabo

Recent Successful Discovery Strategies: a Cheminformatist’s Perspective

May 29, 2013 - Presentation
Pre-clinical drug discovery strategies include target-based and phenotypic screening, natural substance modifications and biologic approaches. To demonstrate how cheminformatics approache…
appsci

Virtual Libraries and Virtual Screening in Drug Discovery Processes using KNIME

Feb 17, 2011 - Presentation
Based around ChemAxon’s discovery tools we will discuss key aspects of virtual high throughput screening methods including management and characterization of virtual libraries, alte…
library

Library Compound Design Methods for Custom Library Synthesis

Nov 23, 2010 - Presentation
ChemAxon’s Technology provides powerful support for virtual library enumeration via reaction and Markush based structure-based enumeration. In addition, management and characterisation …
Product group: Discovery toolkit
markushijc

Management and Search of Markush Structures from the Thomson Reuters Databases in Instant JChem

Aug 1, 2011 - Tutorial
This video demonstrates how to handle Markush structures in ChemAxon’s Instant JChem technology. Markush structures will be searched and enumerated here.

Screen GUI sneak peek

May 16, 2013 - Tutorial
Get a sneak peek into the current state of the Disco toolbox prototype development as of May 2013. Conceptual user interaction design for property space visualization, snapshot management…
Author: ()
Product: Screen