The exploring AI-generated pyrazalone derivatives as antifungal agents: Bringing together molecular docking and quantum chemical approaches
Muath Suliman, Aqsa Laraib, Shamsa Bibi, S. M. Mohamed, Mohammad Y. Alshahrani, Shabbir Muhammad
Topics & Concepts
AntifungalQuantum chemicalDocking (animal)ChemistryCombinatorial chemistryComputational biologyComputer scienceNanotechnologyComputational chemistryBiologyOrganic chemistryMaterials scienceMoleculeMedicineMicrobiologyNursingSynthesis and biological activitySynthesis and Biological EvaluationBioactive Compounds and Antitumor Agents