Beast in the Shell – a Robust Chemical Intelligence for Next-Generation Chemical Search

Sponsored by: ChemAxon

Focused on:

  • Chemical Search Technology
  • Research Informatics

Date: 18 October


Time: 3PM London/10AM New York

The ability to quickly and precisely search and compare chemical structures in large databases is an everyday activity in all modern pharmaceutical companies from the smallest to the largest. Exploratory searches target the chemical space of small molecules to design HTS compound libraries or conduct freedom-to-operate analyses. Our core technology, the JChem family provides a robust and reliable chemical intelligence for substructure and structure similarity searches, as well as for reaction and Markush enumeration.

The vast option space covers all structural queries, handles advanced stereochemistry, atom lists, isotopes and generic ligand groups. ChemAxon’s proprietary Chemical Terms language, built into JChem, allows the calculation of various physicochemical properties as search constraints. The JChem cartridges provide a seamless integration of chemical intelligence into the largest database systems.

ChemAxon’s improved, innovative JChem engine is now moving towards cloud services and distributed systems, such as Amazon Cloud and Apache Hadoop. The webinar will introduce the new features and technologies our core cheminformatics solution incorporates, as well as the well-proven search functionalities. Our presentation is intended primarily, but not exclusively for pharmaceutical IT directors, IT architects, cheminformatics decision makers, computational and medicinal chemists.

Presented by

Andras Volford, PhD,

Product Owner of JChem Engines

Andras Volford obtained his PhD in Physics for studying nonlinear dynamic systems in chemistry from the Budapest University of Technology and Economics. He also holds an M.Sc. in Pharmaceutical Engineering from the same institute. Andras has over 15 years of demonstrated experience in cheminformatics, including structure representation, stereochemistry, molecule searching and various database technologies.

Andras joined ChemAxon in 2010, at the company’s early age; since then he has been involved with the development of one of ChemAxon’s core technologies, currently as a product owner of the JChem family products.

Key Learning Objectives

  • Display chemical search capabilities of ChemAxon software
  • Learn about the available Cartridge solutions for Oracle and PostgreSQL
  • Introducing our new chemical search engine returning incredibly fast results
  • We are hitting the road in the future to extend JChem technology with cloud solutions and distributed systems


  • Vice President Informatics
  • Associate Director Cheminformatics
  • Director IT
  • LRL Research Dedicated
  • Biology IT systems
  • Research Consultant
  • Research Dedicated IT
  • Director Biologics and Applied Genomics Technologies
  • R&D IS Head of Solution Center Biologics
  • Systems Architect Drug Discovery
  • IT Research
  • Director Research Business Technologies
  • Manager Research Informatics
  • Staff Scientist
  • Scientist I / Scientist II
  • Protein Scientist
  • Protein Chemist
  • Protein Engineering
  • Scientist Synthetic Biology
  • Director Antibody Engineering
  • Director Biologics R&D
  • Scientist Bioconjugates
  • Scientific Group Leader