Srivastava, Ravi Kumar published the artcileQuantum chemical descriptors based QSAR study on inhibitors of enzyme alcohol dehydrogenase, Quality Control of 359-38-6, the main research area is QSAR alc dehydrogenase inhibitor amide pyrazole quantum chem descriptor.
Descriptors, heat of formation, energy of HOMO, total energy, absolute hardness, global hardness and chem. potential in different combinations, have been used to develop QSAR models of inhibitors of enzyme alc. dehydrogenase. The inhibitors are mainly derivatives of amides and pyrazoles, which are divided into two different sets. One QSAR model having the best predictive power is presented in each set. The correlation coefficient value is above 0.8 in first and above 0.9 in second set. The best combination of descriptors are heat of formation, total energy along with any two of the descriptors viz. energy of HOMO, chem. potential and global hardness.
Organic Chemistry: An Indian Journal published new progress about Chemical potential. 359-38-6 belongs to class amides-buliding-blocks, name is 2,2-Difluoroacetamide, and the molecular formula is C2H3F2NO, Quality Control of 359-38-6.
Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics