首页/数据集/Bioactivity score of top six compounds with different human receptors.

Bioactivity score of top six compounds with different human receptors.

Figshare2023-11-16 更新2026-04-28 收录

数据链接：

https://figshare.com/articles/dataset/Bioactivity_score_of_top_six_compounds_with_different_human_receptors_/24578548 数据链接链接失效反馈

官方服务：

资源简介：

Bioactivity score of top six compounds with different human receptors.

应用场景：

创建时间：

2023-11-16

虚拟化学库生成与基准测试

药物虚拟筛选

1. Research introduction A pharmacophore-based SMARTS reaction-driven virtual chemical library (MOLSMARTS and atom base library generation (MOLHYBRID), which both can generate chemically valid, synthe

Mendeley Data50

Inactive-enriched machine-learning models exploiting patent data improve structure-based virtual screening for PDL1 dimerizers

药物虚拟筛选

PDL1二聚化剂预测

The 12 VS scenarios considered in this study employing six training-test data partitions (A-F). All training sets employ the same set of 371 actives (WO2015160641A2), but differ on the considered set

NIAID Data Ecosystem10

Ultra-large virtual screening unveils potent agonists of the neuromodulatory orphan receptor GPR139

药物虚拟筛选

孤儿受体药物发现

PDB validation report and GPR139 model in complex with compound 1.1

Figshare2026-01-07 更新00

Targeting the Binding Function 3 (BF3) Site of the Human Androgen Receptor through Virtual Screening.

药物虚拟筛选

前列腺癌靶向治疗

The androgen receptor (AR) is the best studied drug target for the treatment of prostate cancer. While there are a number of drugs that target the AR, they all work through the same mechanism of actio

NIAID Data Ecosystem10

PARP1 Inhibitors Discovery:Innovative Screening Strategies Incorporating Machine Learning and Fragment Replacement Techniques

药物虚拟筛选

PARP1抑制剂

The dataset contains the data from a paper entitled "PARP1 Inhibitors Discovery:Innovative Screening Strategies Incorporating Machine Learning and Fragment Replacement Techniques". Both the training a

NIAID Data Ecosystem00

Bioactivity score of top six compounds with different human receptors.

资源简介：

相关数据集