The determination of the target proteins of the new anticancer compounds is a very important task in Medical Chemistry. In this sense, chemists perform preclinical tests with a high number of combinations of experimental conditions. For this, the information contained in Databases such as ChEMBL is used, which contains the results of more than 65,000 preclinical tests of anticancer activity for more than 35,000 different chemical components.
In this line of work, the researcher Ikerbasque Humbert González-Díaz from the Department of Organic Chemistry II of the UPV / EHU, has participated in a publication of the Combinational Science magazine of the American Chemical Society in which a model that improves the Predictability of the objectives of the anticancer components is proposed.
This important development has been highlighted on the cover of the magazine itself.
For more information: https://pubs.acs.org/doi/10.1021/acscombsci.8b00090