20210723_lipinski_filtered_drugs_dict.pkl

NIAID Data Ecosystem2026-03-12 收录

分子筛选

类药性预测

数据链接：

https://figshare.com/articles/dataset/20210723_lipinski_filtered_drugs_dict_pkl/15042861 数据链接链接失效反馈

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资源简介：

Pickle of SELFIES Lipinski filtered data. No formal charges.

创建时间：

2021-07-23

Simulation input files and datasets for the article: "RUPTURA: Simulation Code for Breakthrough, Ideal Adsorption Solution Theory Computations, and Fitting of Isotherm Models".

模拟计算

分子筛选

This folder contains:1) examples for simulating breakthrough curves, estimating mixture adsorption isotherms and fitting of pure component isotherms. These examples are also present in the open source

DataCite Commons2023-04-14 更新40

ADME and Toxicity (ADME/T) profile of the top-ranked five drug molecules.

ADME药物代谢动力学

分子筛选

ADME and Toxicity (ADME/T) profile of the top-ranked five drug molecules.

NIAID Data Ecosystem20

Predicted physicochemical properties related to drug-likeness of lead compounds.

先导化合物

类药性预测

Predicted physicochemical properties related to drug-likeness of lead compounds.

Figshare2025-09-11 更新20

A Chemical Biology Approach to Model Pontocerebellar Hypoplasia Type 1B (PCH1B)

罕见神经疾病建模

分子筛选

Mutations of EXOSC3 have been linked to the rare neurological disorder known as Pontocerebellar Hypoplasia type 1B (PCH1B). EXOSC3 is one of three putative RNA-binding structural cap proteins that gui

NIAID Data Ecosystem40

Designed Oligooxopiperazines as Modulators of Hypoxia-Inducible Factor Signaling. Homo sapiens

缺氧诱导因子信号调控

分子筛选

We performed gene expression profiling of oligooxopiperazines (OPs) targeting the hypoxia-inducible transcription factor complex. Treatment of cells with OPs inhibited hypoxia-inducible gene expressio

NIAID Data Ecosystem20

20210723_lipinski_filtered_drugs_dict.pkl

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