AIMC Topic: Carbonic Anhydrase Inhibitors

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Explainable artificial intelligence in the design of selective carbonic anhydrase I-II inhibitors via molecular fingerprinting.

Journal of computational chemistry Mar 15, 2024
Inhibiting the enzymes carbonic anhydrase I (CA I) and carbonic anhydrase II (CA II) presents a potential avenue for addressing nervous system ailments such as glaucoma and Alzheimer's disease. Our study explored harnessing explainable artificial int...
Humans Artificial Intelligence Drug Design Molecular Structure Carbonic Anhydrase II Carbonic Anhydrase Inhibitors Carbonic Anhydrase I
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Prediction of biological activity of compounds containing a 1,3,5-triazinyl sulfonamide scaffold by artificial neural networks using simple molecular descriptors.

Bioorganic chemistry Dec 19, 2020
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 inp...
Humans Neural Networks, Computer Drug Design Antigens, Neoplasm Sulfonamides Triazines Carbonic Anhydrase II Carbonic Anhydrase IX Carbonic Anhydrase Inhibitors
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