ZINC Dataset

kaggle2023-12-20 更新2024-03-08 收录

化学化合物

药物筛选

数据链接：

https://www.kaggle.com/datasets/volodymyrpivoshenko/zinc-dataset 数据链接链接失效反馈

官方服务：

资源简介：

Collection of commercially available chemical compounds prepared for screening

专为筛选制备的商用可购化合物集合

创建时间：

2023-12-20

N-ACETYLASPARAGINE; LC-ESI-QTOF; MS2; CE: 10eV; R=5000; [M+H]+

化学化合物

质谱分析

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_P101103_F638 contains the MS2 mass spectrum of N-ACETYLASPARAGINE with the InChIkey HXFOXFJUNFFYMO-BYPYZUCNSA-N.

massbank.eu140

allTime_allCelline_combined_raw_level3_log2_foldChanges_LINCS.txt

基因表达

药物筛选

This is the raw drug-induced gene expression log2 fold change profiles based on the Level 3 data of LINCS. Only the FDA-approved drugs were considered.

DataCite Commons2022-01-29 更新80

sarscov2_vitro_touret

新冠病毒研究

药物筛选

## Dataset Details ### Dataset Description An in-vitro screen of the Prestwick chemical library composed of 1,480 approved drugs in an infected cell-based assay. - **Curated by:** - **License:**

魔搭社区2025-10-09 更新60

4-Nitro-N-(4-p-tolyl-thiazol-2-yl)-benzeneamine, TBDMS derivative

化学化合物

标准参考数据

This page, "4-Nitro-N-(4-p-tolyl-thiazol-2-yl)-benzeneamine, TBDMS derivative", is part of the NIST Chemistry WebBook. This site and its contents are part of the NIST Standard Reference Data Program.

doi.org90

Chromium,pentacarbonyl(isothiazole-N(2))-(oc-6-22)-

化学化合物

标准参考数据

This page, "Chromium,pentacarbonyl(isothiazole-N(2))-(oc-6-22)-", is part of the NIST Chemistry WebBook. This site and its contents are part of the NIST Standard Reference Data Program.

webbook.nist.gov60

ZINC Dataset

资源简介：

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