Connecting features of drugs to molecular, cellular, and organismal phenotypes

This project contains datasets that I generated for my PhD thesis titled "Connecting chemical features of drugs to molecular, cellular, and organismal phenotypes". These data have been used to developed methods to quantify the connections between chemical features of drugs at the molecular, cellular, and organismal level. Specifically, in the thesis I present methods for predicting activities among structurally diverse sets of drugs, for predicting up-regulation of genes based on chemical features of drugs, and a quantified approach to estimating clinical impacts of genotype guided therapies. <br/><br/>This project includes the following software/data packages: <br/> <ul> <li> <a href="https://simtk.org/frs?group_id=938#pack_1576">ghf-phd </a> : Baseline targets and diverse activity sets. </li> </ul>

本项研究收录了为我的博士论文《药物化学特征与分子、细胞和生物体表型之间的联系》所生成的数据集。这些数据被用于开发量化药物化学特征在分子、细胞和生物体层面的联系的方法。具体而言，在论文中，我提出了预测结构多样药物集合活动性的方法，基于药物化学特征预测基因上调的方法，以及一种量化评估基因型指导治疗临床影响的方法。本项目中包含以下软件/数据包：
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<li><a href="https://simtk.org/frs?group_id=938#pack_1576">ghf-phd</a>：基准目标和多样化的活性集合。</li>
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