Recent Posts by Fernando Martín

Clustering methods for large molecular library screening

Today, the amount of data generated in many fields such as engineering, social sciences or medicine is suffering a tremendous scale-up. Extraction of relevant information is hence becoming increasingly challenging, and methods of data analysis such as clustering are now crucial. Clustering consists on the identification of homogeneous subgroups among a set of heterogeneous items.…
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Machine Learning partnership to accelerate discovery of novel drugs

CCDC and Pharmacelera combine virtual screening and machine learning expertise to help scientists accelerate drug discovery Barcelona and Cambridge, UK, 26th June 2019. The Cambridge Crystallographic Data Centre (CCDC) and Pharmacelera have reached an agreement to perform a joint research project to reinforce the results obtained by structure-based in-silico technologies via ligand-based tools. GOLD, CCDC’s docking software used…
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