QSAR data of 2,9-dimethylquinacridone tautomers

Name: QSAR data of 2,9-dimethylquinacridone tautomers
Creator: Isantin GmbH
Published: 2023-06-13T00:00:00+08:00

Zenodo2023-06-13 更新2026-04-07 收录

药物分子设计

化学信息学

数据链接：

https://zenodo.org/doi/10.5281/zenodo.8032056 数据链接链接失效反馈

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资源简介：

Quantitative structure-activity relationship (QSAR) data of 2,9-dimethylquinacridone tautomers.

提供机构：

Isantin GmbH

创建时间：

2023-06-13

Compound 527209: 2-(8,8a-Dimethyl-1,3,4,6,7,8-hexahydronaphthalen-2-ylidene)propan-1-ol

化学信息学

有机化合物分析

Chemical compound data from PubChem database. IUPAC Name: 2-(8,8a-dimethyl-1,3,4,6,7,8-hexahydronaphthalen-2-ylidene)propan-1-ol. Molecular Formula: C15H24O....

data.gov50

Compound 525225: Chloromethyl 8-chlorononanoate

化学信息学

化合物表征

Chemical compound data from PubChem database. IUPAC Name: chloromethyl 8-chlorononanoate. Molecular Formula: C10H18Cl2O2. Molecular Weight: 241.15. This dataset...

data.gov40

Design, Synthesis, and Investigation of Anti-liver Fibrosis Activity of Steroidal VDR Modulators via Side-Chain Modifications

药物分子设计

纤维化治疗

Liver fibrosis, marked by excessive ECM deposition, can progress to cirrhosis and hepatocellular carcinoma, yet effective treatments are lacking. Since hepatic stellate cell (HSC) activation is centra

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e3fp-pubchemqc-prop

化学信息学

分子属性预测

3D-MolT5是一个用于分子文本建模的数据集，它利用了离散结构信息。数据集包含多个特征字段，如索引、任务类型、SMILES表示、指令、输出、分子指纹和SELFIES表示。数据集分为训练集、验证集和测试集，分别包含不同的示例数量。该数据集可用于分子属性的预测等任务。

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Compound 527056: 2,6,6-Trimethyl-1-(but-2-enoyl)-cyclohex-2-en-4-one

化学信息学

化合物表征

Chemical compound data from PubChem database. IUPAC Name: 4-but-2-enoyl-3,5,5-trimethylcyclohex-2-en-1-one. Molecular Formula: C13H18O2. Molecular Weight: 206.28....

data.gov20

QSAR data of 2,9-dimethylquinacridone tautomers

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