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QSAR STUDY OF 2-SUBSTITUTED PHENYL-2-OXO-, 2-HYDROXYL- AND 2-ACYLLOXYETHYLSULFONAMIDES AS FUNGUCIDES
The Journal of Engineering and Exact Sciences
An insilico study was carried out on a series of thirty-five (35) sulfonyl-containing compounds for their antifungal activities against Botrytis Cinerea fungi using QSAR techniques. Using Spartan 14 molecular modelling software to draw the molecular structure of the compounds, the DFT/B3LYP/6-31G* quantum method of the software was used in optimizing the drawn compounds. The optimized compounds of the dataset were then underbring into PaDEL-Descriptor software for their molecular descriptorsdoi:10.18540/jcecvl5iss3pp0283-0290 fatcat:4ymanohglzd67daixiigoomgz4