Cheminformatics Perturbation-Theory Machine Learning Laboratory
CHEM PTML
Universidade de Vigo
Vigo, EspañaPublicaciones en colaboración con investigadores/as de Universidade de Vigo (5)
2020
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New experimental and computational tools for drug discovery. From old way to new series – part-x
Current Topics in Medicinal Chemistry
2014
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Prediction of Neurological Enzyme Targets for Known and New Compounds with a Model using Galvez's Topological Indices
18TH INTERNATIONAL ELECTRONIC CONFERENCE ON SYNTHETIC ORGANIC CHEMISTRY
2011
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First computational chemistry multi-target model for anti-Alzheimer, anti-parasitic, anti-fungi, and anti-bacterial activity of GSK-3 inhibitors in vitro, in vivo, and in different cellular lines
Molecular Diversity, Vol. 15, Núm. 2, pp. 561-567
2009
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QSAR and complex network study of the chiral HMGR inhibitor structural diversity
Bioorganic and Medicinal Chemistry, Vol. 17, Núm. 1, pp. 165-175
2007
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ANN-QSAR model for selection of anticancer leads from structurally heterogeneous series of compounds
European Journal of Medicinal Chemistry, Vol. 42, Núm. 5, pp. 580-585