首页/数据集/Phase behaviour and pH-solubility profile prediction of aqueous buffered solutions of ibuprofen and ketoprofen. FPE 2022

Phase behaviour and pH-solubility profile prediction of aqueous buffered solutions of ibuprofen and ketoprofen. FPE 2022

NIAID Data Ecosystem2026-03-13 收录

药物溶解度预测

制剂相平衡分析

数据链接：

https://zenodo.org/record/6599674 数据链接链接失效反馈

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资源简介：

All data for the figures in the publication.

应用场景：

创建时间：

2022-06-01

药物溶解度预测

超临界流体萃取

The solubility of anticancer drugs (ACDs) in supercritical carbon dioxide (SC-CO2) has a pivotal role in the extraction and purification processes of drugs by this powerful and environmentally-friendl

DataCite Commons2025-02-02 更新60

amirhallaji/ADME-Property-Prediction-Solubility_AqSolDB

药物溶解度预测

ADME特性

这是一个包含药物信息的数据集，其中包括药物的ID和名称，以及一个浮点类型的标签Y。数据集分为训练集、验证集和测试集，总大小为850,901字节。

Hugging Face2025-11-11 更新40

DLS-100 (Drug-Like Solubility - 100 compounds) dataset

药物溶解度预测

ADMET性质

100 Molecules with measured and reported intrinsic aqueous solubilities, together with a suggested 75-25 training-test split.

NIAID Data Ecosystem30

Evaluation of Predictive Solubility Models in Pharmaceutical Process Developmentan Enabling Technologies Consortium Collaboration

药物溶解度预测

工艺优化

Solubility is an important property in the design of many unit operations within the development of synthetic pharmaceutical processes. However, the direct measurement of solubility in potential solve

NIAID Data Ecosystem50

XGBoost Based Prediction of Drug Solubility in Cosolvent Systems

药物溶解度预测

梯度提升建模

This notebook explores the use of Extreme Gradient Boosting (XGBoost) for predicting drug solubility in cosolvent systems. It demonstrates the model's ability to capture complex feature interactions.

NIAID Data Ecosystem40

Phase behaviour and pH-solubility profile prediction of aqueous buffered solutions of ibuprofen and ketoprofen. FPE 2022

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