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New Experimental and Computational Tools for Drug Discovery: Medicinal Chemistry, Molecular Docking, and Machine Learning. Part - VI


Maykel Cruz Monteagudo and Humbert González-Díaz*  


We are publishing the series of special issues “New experimental and computational tools for drug discovery” focused on the use of enabling technologies like Computational Chemistry, Bioinformatics, OMICS, Combinatorial Chemistry, Data Analysis, etc. in Medicinal Chemistry and Drug Discovery. The series have published a total of five special issues until this moment (1-5). The present issue (Part – VI) includes a new collection of papers exploring the use of Experimental techniques (LC-MS/MS, FTIR, or NMR, etc.) combined with computational methods like Molecular Docking and Machine Learning (ML) for the discovery of anti-cancer, anti-diabetic, and anti-leishmanial compounds.


anti-diabetic, anti-cancer, anti-leishmanial compounds


Department of Education, West Coast University, Miami Campus, 33178, FL, Department of Organic Chemistry II, University of the Basque Country UPV/EHU, Leioa 48940

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