《Prediction of biological activity of compounds containing a 1,3,5-triazinyl sulfonamide scaffold by artificial neural networks using simple molecular descriptors》 was written by Havrankova, Eva; Pena-Mendez, E. M.; Csollei, Jozef; Havel, Josef. Reference of 3-Aminopropan-1-olThis research focused ontriazinyl sulfonamide carbonic anhydrase inhibition neural network structure activity; 1,3,5-triazinyl sulfonamide derivatives; ANN; Carbonic anhydrase; Structural descriptors. The article conveys some information:
Simple mol. descriptors of extensive series of 1,3,5-triazinyl sulfonamide derivatives, based on the structure of sulfonamides and their physicochem. properties, were designed and calculated These descriptors were successfully applied as inputs for artificial neural network (ANN) modeling of the relationship between the structure and biol. 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, tumor-associated hCA IX, and their selectivity (hCA II/hCA IX). In the experiment, the researchers used many compounds, for example, 3-Aminopropan-1-ol(cas: 156-87-6Reference of 3-Aminopropan-1-ol)
3-Aminopropan-1-ol(cas: 156-87-6) belongs to anime. Acylation is one of the most important reactions of primary and secondary amines; a hydrogen atom is replaced by an acyl group (a group derived from an acid, such as RCOOH or RSO3H, by removal of ―OH, such as RC(=O)―, RS(O)2―, and so on). Reagents may be acid chlorides (RCOC1, RSO2C1), anhydrides ((RCO)2O), or even esters (RCOOR′); the products are amides of the corresponding acids.Reference of 3-Aminopropan-1-ol
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