Compound design is one of the major tasks for computational approaches in medicinal chemistry. The primary aim is the generation of compounds with desired properties, first and foremost, compounds ...
Rationalizing general limitations in assessing and comparing methods for compound potency prediction
In computer-aided drug discovery, the prediction of compounds that are active against given targets and the prediction of compound potency are central tasks 1, 2. For the quantitative prediction of ...
Some results have been hidden because they may be inaccessible to you
Show inaccessible results