volume_of_distribution_at_steady_state_lombardo_et_al

## Dataset Details ### Dataset Description The volume of distribution at steady state (VDss) measures the degree of a drug's concentration in the body tissue compared to concentration in the blood. Higher VD indicates a higher distribution in the tissue and usually indicates the drug with high lipid solubility, low plasma protein binding rate. - **Curated by:** - **License:** CC BY 4.0 ### Dataset Sources - [corresponding publication](https://doi.org/10.1021/acs.jcim.6b00044) - [data source](https://tdcommons.ai/single_pred_tasks/adme/#vdss-volumn-of-distribution-at-steady-state-lombardo-et-al) ## Citation **BibTeX:** ```bibtex @article{Lombardo2016, doi = {10.1021/acs.jcim.6b00044}, url = {https://doi.org/10.1021/acs.jcim.6b00044}, year = {2016}, month = sep, publisher = {merican Chemical Society (ACS)}, volume = {56}, number = {10}, pages = {2042--2052}, author = {Franco Lombardo and Yankang Jing}, title = {In Silico Prediction of Volume of Distribution in Humans. Extensive Data Set and the Exploration of Linear and Nonlinear Methods Coupled with Molecular Interaction Fields Descriptors}, journal = {Journal of Chemical Information and Modeling} ```# 数据集详情 ## 数据集描述 稳态分布容积（steady-state volume of distribution, VDss）用于衡量药物在机体组织中的浓度相较于血液浓度的分布程度。较高的VDss值代表药物在组织中的分布占比更高，通常对应脂溶性较高、血浆蛋白结合率较低的药物。 - **整理方：** - **授权协议：** CC BY 4.0 ## 数据集来源 - [相关研究论文](https://doi.org/10.1021/acs.jcim.6b00044) - [数据来源](https://tdcommons.ai/single_pred_tasks/adme/#vdss-volumn-of-distribution-at-steady-state-lombardo-et-al) ## 引用信息 ### BibTeX： bibtex @article{Lombardo2016, doi = {10.1021/acs.jcim.6b00044}, url = {https://doi.org/10.1021/acs.jcim.6b00044}, year = {2016}, month = sep, publisher = {美国化学会（American Chemical Society, ACS)}, volume = {56}, number = {10}, pages = {2042--2052}, author = {Franco Lombardo和Yankang Jing}, title = {人类体内分布容积的虚拟预测：大规模数据集与结合分子相互作用场描述符的线性及非线性方法探索}, journal = {Journal of Chemical Information and Modeling} }

搜集汇总

背景与挑战

背景概述

该数据集专注于稳态分布容积（VDss），用于评估药物在身体组织与血液中的浓度分布，高值常关联于高脂溶性和低血浆蛋白结合特性。它基于Lombardo等人2016年的研究，由jablonkagroup维护，采用CC BY 4.0许可证。