Candidate Compound Library for DeepDrugDiscovery platform
收藏DataCite Commons2026-01-22 更新2026-05-03 收录
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https://figshare.com/articles/dataset/Candidate_Compound_Library_for_DeepNAE_platform/30081430
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资源简介：
The DeepDrugDiscovery platform utilized a carefully curated library of 1.16 million compounds sourced from established commercial databases<b>. </b>This strategic selection of commercial sources ensures most hits are readily procurable, bypassing synthesis bottlenecks and expediting validation from computational prediction to biological testing. To ensure the chemical diversity and broad applicability of our screening approach, we conducted comprehensive diversity metrics analysis across the entire library.
提供机构：
figshare
创建时间：
2025-09-08
