In this study, we introduce semi-supervised machine learning models designed to predict
molecular properties. Our model employs a two-stage approach, involving pre-training and …

Background Protozoal pathogens pose a considerable threat, leading to notable mortality
rates and the ongoing challenge of developing resistance to drugs. This situation …

Malaria remains a significant global health challenge due to the growing drug resistance of
Plasmodium parasites and the failure to block transmission within human host. While …

Among the physical properties characterizing cocrystals, melting temperature is one of the
primary properties. Its prediction has been done by researchers, but in the known prediction …

Malaria continues to pose a significant global health threat, and the emergence of drug-
resistant malaria exacerbates the challenge, underscoring the urgent need for new …

This study established a flavonoid cocrystal database, and four machine learning models
[support vector machine (SVM), random forest (RF), logistic regression (LR), and artificial …

Alzheimer's disease (AD) is a neurodegenerative disorder characterized by cognitive
decline, with the accumulation of β-amyloid (Aβ) plaques playing a key role in its …

Neglected tropical diseases (NTDs) continue to affect the livelihood of individuals in
countries in the Southeast Asia and Western Pacific region. These diseases have been long …

Malaria is a devastating parasitic disease with high levels of morbidity and mortality
worldwide. Artemisinin, the active substance against malaria, is a sesquiterpenoid produced …

The Kovats retention index is a critical parameter in gas chromatography used for the
identification of volatile compounds in essential oils. Traditional methods for determining the …