首页> 外文会议>WSEAS International Conference on Environment, Ecosystems and Development >HYDROBET - a novel method for calculation of hydrophobic/hydrophilic balance of New Asymmetric Porphyrins as Potential Photosensitizers in Photodynamic Therapy. The usefulness of the new APORBET index in the QSPR studies
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HYDROBET - a novel method for calculation of hydrophobic/hydrophilic balance of New Asymmetric Porphyrins as Potential Photosensitizers in Photodynamic Therapy. The usefulness of the new APORBET index in the QSPR studies

机译:水质 - 一种新的新非对称卟啉疏水/亲水平衡的新方法,作为光动力学治疗中的潜在光敏剂。 QSPR研究中新的吸气指数的有用性

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Experimental values of molecular hydrophobicity R_(M0) have been correlated with the values calculated by using a novel method of calculation, named HYDROBET, resulting satisfactory values for correlation coefficient (R~2 = 0.865). A new molecular descriptor named APORBET was formulated and used in QSPR studies for modelling of some parameters such as: retention time (R_T), chromatographic parameter R_f and the maximum of lenghtwave (λ_(max.)) regarding new asymmetric porphyrins involved in this study, lending confidence in increased predictive power of the above mentioned QSPR models.
机译:分子疏水性R_(M0)的实验值与通过使用新的计算方法命名为水合物的数值来相关,导致相关系数的令人满意的值(R〜2 = 0.865)。制定了一种名为aporbet的新分子描述符,并用于QSPR研究,用于建模一些参数,例如:保留时间(R_T),色谱参数R_F以及关于本研究涉及新的非对称卟啉的LenghtWave(λ_(最大值)的最大值,对上述QSPR模型的预测力提高的贷款信心。

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