As a traditional medical intervention in Asia and a complementary and alternative medicine
in western countries, traditional Chinese medicine (TCM) has attracted global attention in …

The drug development is generally arduous, costly, and success rates are low. Thus, the
identification of drug-target interactions (DTIs) has become a crucial step in early stages of …

Background: Determining drug–disease associations is an integral part in the process of
drug development. However, the identification of drug–disease associations through wet …

Computational prediction of the interaction between drugs and targets is a standing
challenge in the field of drug discovery. A number of rather accurate predictions were …

Drug target identification is a crucial step in development, yet is also among the most
complex. To address this, we develop BANDIT, a Bayesian machine-learning approach that …

In pharmaceutical sciences, a crucial step of the drug discovery process is the identification
of drug-target interactions. However, only a small portion of the drug-target interactions have …

In silico prediction of drug–target interactions is a critical phase in the sustainable drug
development process, especially when the research focus is to capitalize on the …

Computational target fishing methods are designed to identify the most probable target of a
query molecule. This process may allow the prediction of the bioactivity of a compound, the …

Accurately predicting drug-target binding affinity (DTA) in silico is a key task in drug
discovery. Most of the conventional DTA prediction methods are simulation-based, which …

Background The selection and prioritization of drug targets is a central problem in drug
discovery. Computational approaches can leverage the growing number of large-scale …