QSAR Study on the Acute Toxicities of Substituted Aromatics to Sword Fish (Xiphophorus helleri) and Rare Minnow (Gobiocypris rarus)

Abstract

Atomic characteristic value δ_iis defined as δ_i = (n_i - 1)·m_i + h_i. Molecular connectivity index (~mY) of atomic characteristic is set up with the δ_i:~mY = ∑(δ_i·δ_j·δ_k…)~(0.5).The quantitative structure-activity relationships (QSAR) studies are performed with the 96hLC_(50) and ~mY. Their bivariate correlation coefficients for sword fish (Xiphophorus helleri) and rare minnow ( Gobiocypris rarus ) are 0.9762 and 0.9907, respectively. The index can be used for estimating the acute toxicities of chemicals to fishes.

Key words: AROMATIC HYDROCARBON, sword fish, rare minnow, TOXICITY

CLC Number:

O621

Cite this article

Yang Weihua;Feng Changjun. QSAR Study on the Acute Toxicities of Substituted Aromatics to Sword Fish (Xiphophorus helleri) and Rare Minnow (Gobiocypris rarus)[J]. Chin. J. Org. Chem., 2003, 23(11): 1267-1270.

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取代芳烃对剑尾鱼、稀有鮈鲫急性毒性的QSAR研究