QSAR studies using the parashift system.
QSAR studies using the parashift system.
复制标题
使用 parashift 系统进行 QSAR 研究。
DOI：
10.1080/10629360802085041
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发表时间：
2008
影响因子：
3
通讯作者：
Livingstone DJ
中科院分区：
文献类型：
--
作者：
Livingstone DJ
描述了一种用分子的表面和表面的局部性质来描述分子的新方法。使用这些表面和性质来解释化学反应和模拟简单的分子性质已经被证明。这项研究报告了使用这些描述的分子来模拟简单的化学相互作用(复杂的形成)和一组不同的诱变剂。对这两个系统进行了成功的建模，并对结果进行了讨论。
A novel way of describing molecules in terms of their surfaces and local properties at the surfaces is described. The use of these surfaces and properties to explain chemical reactivity and model simple molecular properties has already been demonstrated. This study reports an examination of the use of these descriptions of molecules to model a simple chemical interaction (complex formation) and a diverse set of mutagens. Both of these systems have been modelled successfully and the results are discussed.