DARTpaths，一种用于研究化合物分子机制的计算平台。
DARTpaths, an in silico platform to investigate molecular mechanisms of compounds.
机构信息
Centre of Microbial and Plant Genetics, Faculty of Bioscience Engineering, KU Leuven, Leuven 3001, Belgium.
Open Analytics, Antwerp 2600, Belgium.
出版信息
Bioinformatics. 2023 Jan 1;39(1). doi: 10.1093/bioinformatics/btac767.
SUMMARY
Xpaths is a collection of algorithms that allow for the prediction of compound-induced molecular mechanisms of action by integrating phenotypic endpoints of different species; and proposes follow-up tests for model organisms to validate these pathway predictions. The Xpaths algorithms are applied to predict developmental and reproductive toxicity (DART) and implemented into an in silico platform, called DARTpaths.
AVAILABILITY AND IMPLEMENTATION
All code is available on GitHub https://github.com/Xpaths/dartpaths-app under Apache license 2.0, detailed overview with demo is available at https://www.vivaltes.com/dartpaths/.
SUPPLEMENTARY INFORMATION
Supplementary data are available at Bioinformatics online.
摘要
Xpaths 是一组算法，通过整合不同物种的表型终点，可用于预测化合物诱导的分子作用机制，并为模型生物提出后续测试以验证这些途径预测。Xpaths 算法应用于预测发育和生殖毒性 (DART)，并被实现到一个名为 DARTpaths 的计算平台中。
可用性和实现
所有代码都可在 GitHub https://github.com/Xpaths/dartpaths-app 上获得，遵循 Apache 许可证 2.0；详细概述和演示可在 https://www.vivaltes.com/dartpaths/ 上获得。
补充信息
补充数据可在生物信息学在线获得。
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