Official websites use .gov
A
.gov website belongs to an official
government organization in the United States.
Secure .gov websites use HTTPS
A lock (
) or https:// means you've safely
connected to the .gov website. Share sensitive
information only on official, secure websites.
(A) Distribution of the dataset into training and test sets according to pIC50 ranges. (B) Structural similarity map. The encircled points represent test set compounds. Structural similarity is inversely proportional to the distance between the points, and the colors represent pIC50 intervals. Red: 4.00–5.06; cyan: 5.07–6.12; and magenta: 6.13–6.92.
