Aligning Potency and Pharmacokinetic Properties for Pyridine-Based NCINIs
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چکیده
منابع مشابه
Structure and optoelectronic properties of helical pyridine-furan, pyridine-pyrrole and pyridine-thiophene oligomers.
Density functional theory based calculations have been carried out to systematically investigate the structural and optoelectronic properties of pyridine-furan, pyridine-pyrrole and pyridine-thiophene oligomers. Comparison of results obtained at B3LYP/6-31G(d) and B3LYP-D3/6-31G(d) levels of theories reveals that the inclusion of dispersion correction with the B3LYP functional has a major impac...
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ژورنال
عنوان ژورنال: ACS Medicinal Chemistry Letters
سال: 2016
ISSN: 1948-5875,1948-5875
DOI: 10.1021/acsmedchemlett.6b00194