Author: Zsolt Mohácsi

5 Things You May Not Know About Compound Registration

Apr 11, 2017 - Presentation
We will dive deep into five Compound Registration-related topics that are less known, yet interesting to the audience. ChemAxon’s Compound Registration is a system built on a set of web…
dubnium

Standardizer - Molecular Cosmetics for Chemoinformatics

Jul 15, 2006 - Poster
A chemical compound can appear in various forms and its graphical representation often depends on the taste of the chemist. These variants are usually represented with different graphs in…
chemicalterms

Chemical Terms - Functions for Cheminformatics

Jun 5, 2008 - Poster
Pharmaceutical research is not just about molecules, it is about realizable molecules having certain properties. The available set of computable properties is growing, each function usual…
rabel

Standardizer and Structure Checker in a Corporate Environment

Sep 24, 2013 - Presentation
Registering compounds coming from different sources into a chemical database can be a non trivial task. Not only the quality of the structures may be questionable, also the various repres…
libdesign in Plexus

Design of synthetically accessible virtual libraries with Plexus

Jul 10, 2014 - Presentation
Virtual enumeration of chemical reactions as part of virtual library design plays a pivotal role in designing potential drug molecules and generating new ideas. Reactor is the reaction en…
standard

Standardizer - Molecular Cosmetics for Chemoinformatics

Jun 14, 2007 - Poster
A chemical compound can appear in various forms and its graphical representation often depends on the taste of the chemist. These variants are usually represented with different graphs in…
logpka

pKa and logP property prediction and training

Apr 18, 2012 - Presentation
This presentation gives an overview about ChemAxon’s pKa and logP predicting technology. On the slides you’ll see the available Graphical User Interfaces for ChemAxon’s Phys…
propcalc

Chemical Terms, a Language for Cheminformatics

Mar 29, 2007 - Presentation
This presentation gives an overall understanding about ChemAxon’s Chemical Terms which is a simple but extensible language, a general interface to combine chemical functions for var…

Structure based predictions - new Plugins

Jun 7, 2006 - Presentation
This presentation demonstrates the new calculator plugins developed during the last year: – tautomer, resonant structure, and stereoisomer generation, – conformer generation,…