Figure - PMC

Skip to main content

An official website of the United States government

Here's how you know

Here's how you know

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.

View full-text article in PMC

. 2019 Dec 3;11:74. doi: 10.1186/s13321-019-0397-9

Search in PMC
Search in PubMed
View in NLM Catalog
Add to search

© The Author(s) 2019

Open AccessThis article is distributed under the terms of the Creative Commons Attribution 4.0 International License (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted use, distribution, and reproduction in any medium, provided you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The Creative Commons Public Domain Dedication waiver (http://creativecommons.org/publicdomain/zero/1.0/) applies to the data made available in this article, unless otherwise stated.

PMC Copyright notice

Fig. 5 — PCA analysis for a EGFR (explained variance 82.8%), b HTR1A (explained variance 75.0%) and c S1PR1 (explained variance 79.3%) dataset. The red dots are the training set, the blue dots are the predicted inactive compounds in the sampled set and other dots are the predicted actives in the sampled set with different level of probability of being active