DyePermDB: A curated reference database of membrane-permeability annotations for biological dyes
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资源简介：
DyePermDB is a curated dataset of 202 fluorescent and chromogenic dyes with experimentally supported, manually validated membrane-permeability annotations.This repository provides the complete dataset, drug-information subset, reproducible train/test splits, and XGBoost-based baseline models used in the DyePermDB study. The code allows users to reproduce all classification experiments and evaluate structure–permeability relationships using FP4 fingerprints.
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Zenodo创建时间：
2025-12-03
