Molecular descriptors for antimalaria Drug-Decorated Nanoparticles

ChEMBL data for drugs and nanoparticle descriptors with antimalarial activity has been used to create Machine Learning models for antimalarial activity prediction. The scripts to build the models are available at https://github.com/d-bcarrue/NanoDrugsMalaria.

本研究采用包含抗疟活性信息的药物与纳米颗粒描述符的ChEMBL数据库（ChEMBL）数据，构建了用于抗疟活性预测的机器学习模型。用于构建这些模型的脚本可在https://github.com/d-bcarrue/NanoDrugsMalaria处获取。