EventsMOL2NET'18, Conference on Molecular, Biomed., Comput. & Network Science and Engineering, 4th ed.
Event submissions
Published
with-doi10.3390/mol2net-04-05132
This submission belongs to the session 02. USEDAT-04: USA-Europe Data Analysis Training Program Workshop, Cambridge, UK-Bilbao, Spain-Miami, USA, 2018 of the event MOL2NET'18, Conference on Molecular, Biomed., Comput. & Network Science and Engineering, 4th ed.
Published date
16 Mar, 2018
Citation
Juan Alberto Castillo-Garit, Francisco Torrens, Stephen J Barigye, Yoan Martínez-López, Yovani Marrero-Ponce, Yaile Caballero, Reisel Millán Cabrera, Julio Madera, Efrain Edgar Chaluisa Quishpe, New tool useful for drug discovery validated through benchmark datasets, in Proceedings of MOL2NET'18, Conference on Molecular, Biomed., Comput. & Network Science and Engineering, 4th ed., 15 January 2018–20 January 2019, MDPI: Basel, Switzerland, doi: 10.3390/mol2net-04-05132
Share
Email
FaceBook
Twitter
Linkedin

New tool useful for drug discovery validated through benchmark datasets

Juan Alberto Castillo-Garit 1,2
Yoan Martínez-López 3
Yaile Caballero 3
Stephen J Barigye 4
Yovani Marrero-Ponce 5
Reisel Millán Cabrera 1
Julio Madera 3
Efrain Edgar Chaluisa Quishpe 3
image
Francisco Torrens 6
1. Unidad de Toxicología Experimental, Universidad de Ciencias Médicas de Villa Clara, Santa Clara, Villa Clara, Cuba. CP: 50200, Cuba
2. Bioinformatic Research in Systems & Computer Engineering, Carleton University, Ottawa, Canada
3. Department of Computer Sciences, Faculty of Informatics, Camaguey University, Camaguey City, 74650, Camaguey Cuba
4. Departamento de Química, Universidade Federal de Lavras, CP 3037, 37200-000, Lavras, MG, Brazil
5. Grupo de Investigación en Estudios Químicos y Biológicos, Facultad de Ciencias Básicas, Universidad Tecnológica de Bolívar, Cartagena de Indias, Bolívar, Colombia
6. Institut Universitari de Ciència Molecular, Universitat de València, Edifici d'Instituts de Paterna, P. O. Box 22085, 46071 Valencia, Spain
Abstract
Keywords
Aggregation
Atomic weighted vector
Multiple linear regression
Operator
Principal components analysis
QSAR
Variability