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Development and Implementation of a Novel mTOR Inhibitor Prediction Platform Based on Multi-Model Comparison

NIAID Data Ecosystem2026-05-02 收录

药物靶点预测

药物发现

数据链接：

https://data.mendeley.com/datasets/84jbmvzck5 数据链接链接失效反馈

官方服务：

资源简介：

There is code and data from the CHEMBL database inside.

应用场景：

创建时间：

2025-02-27

药物发现

机器学习

HIV-integrase is an important drug target because it catalyzes chromosomal integration of proviral DNA towards establishing latent infection. Computer-aided drug design has immensely contributed to id

DataCite Commons2022-05-18 更新120

Estrogen receptor sdf datasets

药物发现

分子建模

training and test sets for manuscript

DataCite Commons2020-08-29 更新100

BindingDB Entry 10506: P300/CBP HAT inhibitors

生物化学

药物发现

Small molecule binding data for protein Histone acetyltransferase p300, Uniprot Q09472

Mendeley Data2024-03-27 更新80

A SAR and QSAR study on 3CLpro inhibitors of SARS-CoV-2 using machine learning methods

药物发现

机器学习

The 3C-like Proteinase (3CLpro) of novel coronaviruses is intricately linked to viral replication, making it a crucial target for antiviral agents. In this study, we employed two fingerprint descripto

DataCite Commons2024-09-09 更新100

Kamyar-zeinalipour/Protein-drug-pair-v2

药物发现

生物信息学

该数据集包含了化合物的化学信息（如化学文摘服务号（ChEMBL ID）、标准SMILES表示）、生物目标信息（如目标ChEMBL ID、首选名称）、生物序列信息（如生物体、蛋白质序列）等。数据集分为训练集和测试集，其中训练集包含了304,138个示例，测试集包含了10,782个示例。数据集的总体大小为468,177,230字节。

Hugging Face2024-12-26 更新90

Development and Implementation of a Novel mTOR Inhibitor Prediction Platform Based on Multi-Model Comparison

资源简介：

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