Here is a list of the current and past projects in which Lead Molecular Design has activelly participated.


Current projects:


Lead Molecular Design is developing a new software to automatize the structural elucidation of chemical structures for highthrougput chemistry, late stage functionalization and in general, any identification that use spectrl data to do the structural elucidation in an automatic mode.
This new application is co-financed by FEDER (Fons europeu de desenvolupament redional) and the Generalitat de Catalunya via Acció.


Past projects:

Torres Quevedo Fellowship for Dr. Elisabeth Ortega-Carrasco

On 2016, Lead Molecular Design was awarded by a Torres Quevedo Fellowship by the Ministerio de Industria, economia y competitividad. The project has by title “Computer aided structural elucidation of organic compounds based on high resolution mass spectrometry”.
This project was scored with 95/100 by a comitee of experts taking into account the scientific impact of the project and the CV of Dr. Elisabeth Ortega-Carrasco, and it will last for three years (until october 2019).

Industrial PhD project for Tatiana Radchenko

After finishing her masters degree project, Tatiana Radchenko was awarded by an Industrial PhD Project scholarship. Her project is tittled “Unknown structure elucidation. A Mass Spectrometry approach for small and peptide molecules” and is directed by Manuel Pastor (Professor of Pompeu Fabra university) and Ismael Zamora (scientific director of Lead Molecular Design).
This programme lasts for three years, being 2018 the last one.

eTox Project 2010

On January 2010, Lead Molecular Designparticipated in the e-Tox IMI project (, helping to develop models for pharmacokinetic end-points as well as stablishing the system. Our company was one of the 30 partners who participated in the project titled “Integrating bioinformatics and chemoinformatics approaches for the development of expect systems allowing the in-silico prediction of toxicities (eTOX).
This project, already finished, was culminated by the publication of a research paper showing the highlighting results of our collaboration (