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Open access Aug 2026

Electron-withdrawing group effects on the structural, electronic, reactivity, and binding characteristics of triazolopyrimidine herbicides: a comparative study of diclosulam, cloransulam-methyl, and cloransulam

Diclosulam (DS, I), cloransulam-methyl (CSM, II), and cloransulam (CS, III) are widely used herbicidal inhibitors of the AHAS/ALS enzyme for selective weed control. In the present work, a comparative experimental and theoretical study has been conducted on the impact of substituents on their structural, electronic, and...

K. Potla, Cheerlin Mishma Justin Nathaniel, Suchetan Parameshwar Adimule et al. · 0 citations

Rational Coformer Screening of Multicomponent Crystals of Abiraterone Acetate Using Machine Learning (ML) and Multicomponent Hydrogen Bond Propensity (MCHBP): A Comprehensive Structural and Computational Investigation

Multicomponent crystalline systems offer a viable approach to improving the physicochemical and pharmacokinetic properties of drugs, thereby enabling the rational optimization of solid forms through coformer identification. The conventional process relies on empirical knowledge and chemical intuition. To overcome tra...

K. Potla, Abhishek Sharma, Hemanth Kongara et al. · 0 citations

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