Library

ChemAxon European Annual Meeting (UGM), Budapest, May 24-26, 2016

May 24, 2016 - Report
and from command line. The vendor library was prepared as follows. MolConverter was used to generate SMILES from vendor SDfiles and the records from all vendors were merged into one datab…

Using Plexus Design to create chemical space for structure-based drug design

May 25, 2016 - Presentation
How to make better molecules faster is a key challenge in preclinical drug discovery. At Sprint Bioscience we use fragment-based techniques to quickly find high-quality chemical starting …

Chemical Weapons

Apr 1, 2014 - Publication
One of the most important business management challenges for chemistry departments in the global life sciences industry is dealing with controlled substance compliance. Controlled substan…

Questel partners with ChemAxon

May 24, 2016 - Presentation
A partnership was recently signed between ChemAxon and Questel. The outcome of such partnership has already lead to a new product released this month on the Intellixir platform. With furt…

Instant JChem in virtual high throughput screening and commercial compounds selection

May 25, 2016 - Presentation
Search for potential hit compounds using commercially available compound libraries is an important step in the early stage of drug discovery process. An in-house database of commercial co…

Fast similarity searching – making the virtual real

May 24, 2016 - Presentation
Similarity searching is a key component of many chemoinformatic processes including compound collection design, compound clustering and lead hopping. We have command-line tools for bespok…

Compound Registration & Plexus Inventory

May 24, 2016 - Presentation
ChemAxon’s Compound Registration is a system built on a set of web services, aiding users to register molecular structures into a compound database. The registration process spots uniqu…
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Product group: IT platform toolkit

ChemCurator

May 24, 2016 - Presentation
ChemCurator is a desktop application to extract chemical information including compounds, Markush structures and related assay data from English, Chinese and Japanese patents, journal art…
Product group: Markush IP

MarvinSketch in publication

May 25, 2016 - Presentation
MarvinSketch allows users to quickly draw molecules through basic functions on the GUI to advanced functionalities. This talk will focus to the many useful features added to help the chem…

Efficient Heuristics for Maximum Common Substructure Search

Apr 11, 2015 - Publication
Maximum common substructure search is a computationally hard optimization problem with diverse applications in the field of cheminformatics, including similarity search, lead optimization…

Marvin Live

May 25, 2016 - Presentation
Drug discovery teams are increasingly spread out over the world and involve CROs or consultants. Circulating ideas within such a team is cumbersome with regular tools. Marvin Live is desi…

Plexus Assay

May 24, 2016 - Presentation
The biological effects of entities are interrogated in a wide variety of (bio)assays. As ChemAxon is moving to the cloud-hosted solution space, we are aiming at providing a fully web-base…

Plexus Suite

May 24, 2016 - Presentation
Plexus Suite delivers intuitive and easy-to-use cheminformatics solutions to life sciences team members, specially focusing on chemists and biologists for pharmaceutical research. A singl…

Instant JChem & Plexus Connect

May 25, 2016 - Presentation
Instant JChem is a desktop application designed for the chemist. With Instant JChem you can create, explore and share chemical and non-chemical data in local and remote databases without …

Development of a chemical drawing program that provides scientifically correct and engaging first impression for students

May 25, 2016 - Presentation
The ever-expanding internet access and the mass availability of affordable computers for students provide a new and exciting opportunity for academia. The online education enables scaling…

Theoretical insight into the antioxidant properties of melatonin and derivatives

Aug 28, 2014 - Publication
Density functional theory calculations on melatonin, metabolites and synthetic derivatives thereof, and a range of other biological antioxidant molecules are presented, with a view to und…

JChem for SharePoint & ChemLocator

May 25, 2016 - Presentation
This presentation will focus on a user story where the core problem is to find relevant chemical data in different company databases and inventories. The problem gets even more complicate…

Calculations & Predictors in ChemAxon's Discovery Tools

May 25, 2016 - Presentation
ChemAxon’s Discovery Toolkit is a software suite, which implements expert knowledge, and provides robust, class-leading performance to computational and medicinal chemists, aiding the i…
Product group: Discovery toolkit

Plexus Analysis

May 25, 2016 - Presentation
Plexus Analysis is a web-based data visualization and analytics software for all industries. It can receive data from Plexus Connect tables, from files and through its web service interfa…
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