pubchemAssaysRAW.zip

Figshare2019-03-04 更新2026-04-08 收录

高通量筛选

生物活性预测

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PubChem HTS assays referenced in publication.these files were used for training, testing, and validation of the model.

创建时间：

2019-03-04

QSAR classification and regression models for β-secretase inhibitors using relative distance matrices

生物活性预测

QSAR模型

The development of robust QSAR models to predict the activity of molecules of β-secretase inhibitors is an area of interest due to the increase of Alzheimer’s disease in patients in the global populat

DataCite Commons2025-05-01 更新110

Heatmap of the overall HTS database

纳米毒理学

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High througput imaging DB of toxicological effect of Manufactured nanomaterials on HepaRGs. (Note that: JRC NM-111 was included in Batch 1 but due to an error this item was only tested from experiment

Figshare2019-04-18 更新70

North America 384-Well Microplates Market

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实验室耗材市场

Technological advancements in the North America 384-Well Microplates industry are shaping the future market landscape. The report evaluates innovation-driven growth and how emerging technologies are t

IMR REPORTS50

Workflows prediction of activity in KNIME

生物活性预测

化学信息学

This file consists of a workflow of a prediction model for biological activity used in chemoinformatics, it consists of a simple but quite robust map for those who are initiating studies on rational d

Figshare2018-12-10 更新70

Additional file 1 of Prediction of activity and selectivity profiles of human Carbonic Anhydrase inhibitors using machine learning classification models

生物活性预测

碳酸酐酶抑制剂

Additional file 1. Dataset with original downloaded ChEMBL bioactivities for hCA II, IX and XII.

Figshare2021-03-06 更新70