Supporting data for: "Data-driven discovery of cardiolipin-selective small molecules by computational active learning"

Name: Supporting data for: "Data-driven discovery of cardiolipin-selective small molecules by computational active learning"
Creator: Schneider, Dirk; Bereau, Tristan; Ferguson, Andrew L.; Mohr, Bernadette; Shmilovich, Kirill; Kleinwächter, Isabel
Published: 2021-11-02T00:00:00+08:00

Zenodo2021-11-02 更新2026-04-07 收录

心磷脂选择性小分子发现

主动学习分子筛选

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https://zenodo.org/record/5507577 数据链接链接失效反馈

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资源简介：

This repository contains supporting data and code for the paper titled "Data-driven discovery of cardiolipin-selective small molecules by computational active learning" by Bernadette Mohr, Kirill Shmilovich, Isabel Kleinwächter, Dirk Schneider, Andrew L.Ferguson, and Tristan Bereau.

提供机构：

Schneider, Dirk; Bereau, Tristan; Ferguson, Andrew L.; Mohr, Bernadette; Shmilovich, Kirill; Kleinwächter, Isabel

创建时间：

2021-11-02

Supporting data for: "Data-driven discovery of cardiolipin-selective small molecules by computational active learning"

资源简介：

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