Skip to main content

Chemotargets has been invited to speak at the Chem-Bio Informatics Society (CBI) Annual Meeting: “Drug Discovery and Development Pioneered by Data-Driven Research”” which takes place in Tokyo, Oct. 3-5, 2017.

During the meeting, Dr. Jordi Mestres,  Chemotargets Founder & President, will present two lectures:

“Chemotargets CLARITY: An Advanced Analytics Platform for Predictive Pharmacology and Safety”

The recent explosion of heterogenous data for millions of small molecules in a range of diverse areas of relevance to drug discovery offers a wealth of opportunities for using that data to build predictive models for pharmacology, safety and therapeutics but also poses challenges to develop advanced analytics tools that allow for visualizing its complexity in a highly compact and interpretable manner. Dr. Mestres will present the newly introduced platform Chemotargets CLARITY®: an advanced analytics platform that allows for linking chemistry, pharmacology, and safety data. During the seminar, several use cases will be presented, covering:

  • Extraction and visualization of pharmacology and safety data for small molecules available in public and patent databases
  • Prediction of the pharmacological profile of an early small molecule hit from HTS
  • Identification of potential safety liabilities due to the predicted off-target pharmacology
  • Prediction of metabolites and their pharmacological profiles as a source of safety liabilities
  • Exploiting the analytics tools provided to extract signals from all data generated

In his second presentation, “The Usefulness of In Silico Technologies to Minimize Off-Target Safety Pharmacology Events”, Dr Jordi Mestres will introduce specific examples in which comprehensive use of the in silico approach can support the design of an adequate off-target safety assessment strategy for novel investigational drugs. Beyond the identification of simple structural alerts, access to pharmacological data for millions of small molecules, both from public and commercial sources, and post-marketing safety data for thousands of drugs, from the FDA Adverse Event Reporting System (FAERS), has allowed the development of a new generation of mechanism-based computational approaches to large-scale predictive drug safety. Applications to several use cases covering a variety of safety endpoints will be presented.

For further information or to schedule a meeting during the conference, please contact

About the Chem-Bio Informatics Society

The Chem-BioInformatics (CBI) Society is a Japanese non-profit organization that aims to provide a platform for promoting cutting-edge interdisciplinary areas related to chemistry, biology, and informatics. The CBI Society has interest in molecular recognition and molecular modeling, in silico drug discovery, bioinformatics and its applications in medicine, information and computing approaches for drug design and ADMET studies, and emerging new technologies.

About Chemotargets

Founded in March 2006 as a spin-off from Dr. Mestres’ Systems Pharmacology lab under the auspices of the IMIM, Chemotargets offers validated and cutting-edge computational methodologies with top market predictive performan- ce.

The innovation strategy is driven by new cutting edge methods generated at Dr. Mestres’ lab at IMIM, a leading academic center of excellence based in Barcelona. Dr. Mestres is the author of more than 150 peer-reviewed publica- tions.

Chemotargets is currently recognized as a global leader in predictive analytics solutions for pharmaceutical and biotechnology companies and research institutions.

Chemotargets’ goal is to help the biopharma industry fast-forward the process of bringing new medicines to market, speeding up drug discovery and development programs, and improving cost-efficiency.

Prous Institute for Biomedical Research’s recent strategic investment in Chemotargets will allow product development to be accelerated and new capabilities to be acquired in order to support the company’s vision.