Design and Diversity Analysis of Chemical Libraries in Drug Discovery


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Abstract

Chemical libraries and compound data sets are among the main inputs to start the drug discovery process at universities, research institutes, and the pharmaceutical industry. The approach used in the design of compound libraries, the chemical information they possess, and the representation of structures, play a fundamental role in the development of studies: chemoinformatics, food informatics, in silico pharmacokinetics, computational toxicology, bioinformatics, and molecular modeling to generate computational hits that will continue the optimization process of drug candidates. The prospects for growth in drug discovery and development processes in chemical, biotechnological, and pharmaceutical companies began a few years ago by integrating computational tools with artificial intelligence methodologies. It is anticipated that it will increase the number of drugs approved by regulatory agencies shortly.

About the authors

Dionisio Olmedo

Centro de Investigaciones Farmacognósticas de la Flora Panameña (CIFLORPAN), Facultad de Farmacia,, Universidad de Panamá,

Author for correspondence.
Email: info@benthamscience.net

Armando Durant-Archibold

Centro de Biodiversidad y Descubrimiento de Drogas, Instituto de Investigaciones Científicas y Servicios de Alta Tecnología (INDICASAT AIP

Email: info@benthamscience.net

José López-Pérez

CESIFAR, Departamento de Farmacología, Facultad de Medicina, Universidad de Panamá, Ciudad de Panamá

Email: info@benthamscience.net

José Medina-Franco

Departamento de Farmacia, Escuela de Química, Universidad Nacional Autónoma de México, Ciudad de México

Author for correspondence.
Email: info@benthamscience.net

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