Author

Wei-Feng Tan

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Conference Sep 2026

Molecular Determinants of Caco-2 Permeability Using 2D and 3D Descriptors for Drug Discovery

Human intestinal absorption (HIA) is an important consideration in drug discovery, where permeability across intestinal epithelial cells can influence the bioavailability of orally administered compounds. This study investigated the molecular determinants of Caco-2 permeability and evaluated the complementary contribut...

Wei-Feng Tan, R. Edros, Rui-Hai Dong · 2026 IEEE 1st International... · 0 citations

Conference Sep 2026

Explainable Ensemble Learning Model Integrating Multidimensional Descriptors for CYP450 Inhibition Prediction of Kelulut Honey Phytochemicals

Cytochrome P450 (CYP450) enzymes are involved in drug metabolism and pharmacokinetic behaviour and therefore prediction of CYP inhibition early in the drug discovery process is critical to reduce adverse drug reactions and late-stage drug failure. Earlier machine learning investigations achieved prediction accuracy of...

Wei-Feng Tan, R. Edros, Rui-Hai Dong · 2026 IEEE 1st International... · 0 citations

Open access Jul 2026

Consensus ensemble learning with augmented molecular representation for accelerated virtual screening of kelulut honey phytochemicals targeting histamine H1 receptor

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 large compound libraries. This study aims t...

Wei-Feng Tan, Syajaratul Hassan, R. Edros et al. · Discover Molecules · 0 citations