RT info:eu-repo/semantics/article
T1 Prediction of Biological Activity of Compounds Containing a 1,3,5-Triazinyl Sulfonamide Scaffold byArtificial Neural Networks Using Simple Molecular Descriptors
A1 Peña Méndez, Eladia María
A1 Havr´ánkov´á, Eva
A1 Cs¨öllei, Jozef
A1 Havel, Josef
K1 ANN
K1 Structural descriptors
K1 1,3,5-triazinyl sulfonamide derivatives
K1 Carbonic anhydrase
AB Simple molecular descriptors of extensive series of 1,3,5-triazinyl sulfonamide derivatives, based on the structure of sulfonamides and their physicochemical properties, were designed and calculated. These descriptors were successfully applied as inputs for artificial neural network (ANN) modelling of the relationship between the structure and biological activity. The optimized ANN architecture was applied to the prediction of the inhibition activity of 1,3,5-triazinyl sulfonamides against human carbonic anhydrase (hCA) II, tumour-associated hCA IX, and their selectivity (hCA II/hCA IX).
YR 2021
FD 2021
LK http://riull.ull.es/xmlui/handle/915/35189
UL http://riull.ull.es/xmlui/handle/915/35189
LA 
DS Repositorio institucional de la Universidad de La Laguna
RD 27-dic-2024