Featurized Elmo Embedding Sets

Figshare2020-11-30 更新2026-04-08 收录

化学信息学

自然语言处理嵌入

数据链接：

https://figshare.com/articles/dataset/Featurized_Elmo_Embedding_Sets/13304021/1 数据链接链接失效反馈

官方服务：

资源简介：

Featurized Elmo embeddings for data in the various train/test splits for 10.1021/acs.jcim.9b00995

创建时间：

2020-11-30

Schrodinger Phase databases for Enamine REAL lead-like library of 1.56 billion compounds (March 2021)

药物发现

化学信息学

This dataset contains a total of 781 Phase databases in 20 subfolders, created from Enamine REAL lead-like library downloaded in March 2021 (1.56 billion compounds). The compound order in the library

DataCite Commons2023-02-08 更新120

C12H14N5

化学信息学

化合物表征

This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367]. The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]: InChI desc

DataCite Commons2024-02-10 更新50

Compound 526962: ortho,ortho'-alpha-Hydroxydinitrodiphenylacetic acid, methyl ester

化学信息学

小分子化合物

Chemical compound data from PubChem database. IUPAC Name: methyl 2-hydroxy-2,2-bis(2-nitrophenyl)acetate. Molecular Formula: C15H12N2O7. Molecular Weight: 332.26....

data.gov30

SpectrumWorld/multimodal-spectroscopic-seed-datasets-1000

分子光谱学

化学信息学

这是一个包含分子相关数据的化学数据集，其中包括分子索引、SMILES字符串、分子式以及红外光谱图、质量光谱图、氢核磁共振图像、碳核磁共振图像和HSQC图像等特征。数据集分为训练集，共有1000个示例。

Hugging Face2025-07-31 更新80

4-Bromo-5-nitro-1H-isoindole-1,3(2H)-dione

化学信息学

物质结构分析

This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367]. The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]: InChI desc

DataCite Commons2025-03-07 更新50

Featurized Elmo Embedding Sets

资源简介：

相关数据集