clearance_astrazeneca

## Dataset Details ### Dataset Description Drug clearance is defined as the volume of plasma cleared of a drug over a specified time period and it measures the rate at which the active drug is removed from the body. This is a dataset curated from ChEMBL database containing experimental results on intrinsic clearance, deposited from AstraZeneca. It contains clearance measures from two experiments types, hepatocyte and microsomes. - **Curated by:** - **License:** CC BY 4.0 ### Dataset Sources - [corresponding publication](http://dx.doi.org/10.6019/CHEMBL3301361) - [corresponding publication](https://doi.org/10.1016/j.ejmech.2012.06.043) - [data source](https://tdcommons.ai/single_pred_tasks/adme/#clearance-astrazeneca) ## Citation **BibTeX:** ```bibtex @techreport{Hersey2015, doi = {10.6019/chembl3301361}, url = {https://doi.org/10.6019/chembl3301361}, year = {2015}, month = feb, publisher = {{EMBL}-{EBI}}, author = {Anne Hersey}, title = {{ChEMBL} Deposited Data Set - {AZ dataset}} @article{Di2012, doi = {10.1016/j.ejmech.2012.06.043}, url = {https://doi.org/10.1016/j.ejmech.2012.06.043}, year = {2012}, month = nov, publisher = {Elsevier BV}, volume = {57}, pages = {441--448}, author = {Li Di and Christopher Keefer and Dennis O. Scott and Timothy J. Strelevitz and George Chang and Yi-An Bi and Yurong Lai and Jonathon Duckworth and Katherine Fenner and Matthew D. Troutman and R. Scott Obach}, title = {Mechanistic insights from comparing intrinsic clearance values between human liver microsomes and hepatocytes to guide drug design}, journal = {European Journal of Medicinal Chemistry} ```## 数据集详情 ### 数据集描述 药物清除率（Drug clearance）定义为指定时间段内从血浆中清除的药物体积，用于衡量活性药物从体内被清除的速率。本数据集从ChEMBL数据库中整理得到，包含阿斯利康（AstraZeneca）提交的内在清除率实验结果，涵盖两类实验类型的清除率测定数据：肝细胞实验与微粒体实验。 - **整理方：** - **许可协议：** CC BY 4.0 ### 数据集来源 - ["对应文献"](http://dx.doi.org/10.6019/CHEMBL3301361) - ["对应文献"](https://doi.org/10.1016/j.ejmech.2012.06.043) - ["数据来源"](https://tdcommons.ai/single_pred_tasks/adme/#clearance-astrazeneca) ## 引用信息 bibtex @techreport{Hersey2015, doi = {10.6019/chembl3301361}, url = {https://doi.org/10.6019/chembl3301361}, year = {2015}, month = feb, publisher = {{EMBL}-{EBI}}, author = {Anne Hersey}, title = {{ChEMBL} 提交数据集——{AZ} 数据集} @article{Di2012, doi = {10.1016/j.ejmech.2012.06.043}, url = {https://doi.org/10.1016/j.ejmech.2012.06.043}, year = {2012}, month = nov, publisher = {爱思唯尔出版集团 (Elsevier BV)}, volume = {57}, pages = {441--448}, author = {Li Di and Christopher Keefer and Dennis O. Scott and Timothy J. Strelevitz and George Chang and Yi-An Bi and Yurong Lai and Jonathon Duckworth and Katherine Fenner and Matthew D. Troutman and R. Scott Obach}, title = {通过比较人肝微粒体与肝细胞的内在清除率值以指导药物设计的机制研究}, journal = {欧洲药物化学杂志 (European Journal of Medicinal Chemistry)}

搜集汇总

背景与挑战

背景概述

该数据集源自ChEMBL数据库，收录了阿斯利康提供的药物清除率实验数据，用于量化活性药物从体内移除的速率。数据包括肝细胞和微粒体两种实验类型的清除率测量结果。