分子描述符描述化合物的拓扑、电子和几何特征,在预测药物性质中广泛应用。
Molecular descriptors, which describe the topological, electronic, and geometric features of a molecule, have been routinely used in computational prediction of drug properties.
根据脂肪醇的分子结构特征,提出一组拓扑指数作为表征脂肪醇分子结构的分子描述符。
A set of topological indices was used as molecular structure descriptors to describe the molecular structure characteristics of fatty alcohols.
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