openalexDiscover Molecules2026-07-26
Consensus ensemble learning with augmented molecular representation for accelerated virtual screening of kelulut honey phytochemicals targeting histamine H1 receptor
Wei Tan, Syajaratul Hassan, Raihana Edros, Suryanti Awang, Ruihai Dong
Traditional antihistamine discovery has relied on experimental screening followed by stepwise structural optimization. However, this approach is effective yet low and resource-intensive. Thus molecular docking and virtual screening were introduced to allow rapid evaluation of lar…