Integration of the Butina algorithm and ensemble learning strategies for the advancement of a pharmacophore ligand-based model: an in silico investigation of apelin agonists

Authors: Xuan-Truc Dinh Tran, Tieu-Long Phan, Van-Thinh To, Ngoc-Vi Nguyen Tran, Nhu-Ngoc Song Nguyen, Dong-Nghi Hoang Nguyen, Ngoc-Tam Nguyen Tran, Tuyen Ngoc Truong

Source: Frontiers in Chemistry, Vol 12 (2024)

Subject Terms: 3D pharmacophore model, APJ receptor agonist, butina clustering algorithm, ensemble learning method, drug discovery, Chemistry, QD1-999

File Description: electronic resource

Relation: https://www.frontiersin.org/articles/10.3389/fchem.2024.1382319/full; https://doaj.org/toc/2296-2646

Access URL: https://doaj.org/article/be521b7d772d4697b1cc27b5eae342df