admin | Wed, 03/15/2017 - 10:14
n the ST-optimization approach, the shape overlap between the molecules (that is, the ST score) are maximized and the single-point CT score is evaluated at that superposition. On the contrary, the CT-optimization considers both ST and CT scores to find the best superposition between molecules, and the single-point ST score is computed at that superposition
Can there be some sort of superposition using an algorithm that is sort of in the middle, maximizes both ST and CT?
Item URL:
https://hypothes.is/a/HbD-NgmSEee728ddDO6g0A