Natural products (NPs) have been the centre of attention of the scientific community in the
last decencies and the interest around them continues to grow incessantly. As a …

Natural products (NPs) are primarily recognized as privileged structures to interact with
protein drug targets. Their unique characteristics and structural diversity continue to marvel …

Molecule representation learning (MRL) has been extensively studied and current methods
have shown promising power for various tasks, eg, molecular property prediction and target …

The screening and testing of extracts against a variety of pharmacological targets in order to
benefit from the immense natural chemical diversity is a concern in many laboratories …

Natural products continue to be major sources of bioactive compounds and drug candidates
not only because of their unique chemical structures but also because of their overall …

Abstract As coronavirus disease 2019 (COVID-19) pandemic poses a substantial global
public health threat, traditional Chinese medicine (TCM) was used in 91.50% of the COVID …

Background Natural products have been an important source of lead compounds for drug
discovery. How to find and evaluate bioactive natural products is critical to the achievement …

Increasing evidence that several drug compounds exert their effects through interactions
with multiple targets is boosting the development of research fields that challenge the data …

Scaffold diversity is a crucial feature of compound collections that has a huge impact on their
success in biological screenings. The synthesis of highly complex and diverse scaffolds …

Natural products remain one of the most productive sources of chemical inspiration for the
development of new drugs. The structures of more than 250 000 natural products are …