Yayınlanmış 1 Ocak 2018 | Sürüm v1
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4D-QSAR Studies Using a New Descriptor of the Klopman Index: Antibacterial Activities of Sulfone Derivatives Containing 1, 3, 4-Oxadiazole Moiety Based on MCET Model

  • 1. Erciyes Univ, Fac Sci, Dept Chem, TR-38039 Kayseri, Turkey

Açıklama

Introduction: In this paper, we have introduced a new atomic descriptor with Klopman index to determine the local reactive sites of the molecular systems during electrophilic, and nucleophilic attacks. This index, similar to other local reactivity descriptors but more advanced, has been used as a realistic descriptor to discover new aspects of molecular structure.

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