Skip to main page content
U.S. flag

An official website of the United States government

Dot gov

The .gov means it’s official.
Federal government websites often end in .gov or .mil. Before sharing sensitive information, make sure you’re on a federal government site.

Https

The site is secure.
The https:// ensures that you are connecting to the official website and that any information you provide is encrypted and transmitted securely.

Access keys NCBI Homepage MyNCBI Homepage Main Content Main Navigation
Published Erratum
. 2019 Dec 23;59(12):5304-5305.
doi: 10.1021/acs.jcim.9b01076. Epub 2019 Dec 9.

Correction to Analyzing Learned Molecular Representations for Property Prediction

Kevin Yang  1 , Kyle Swanson  1 , Wengong Jin  1 , Connor Coley  2 , Philipp Eiden  3 , Hua Gao  4 , Angel Guzman-Perez  4 , Timothy Hopper  4 , Brian Kelley  5 , Miriam Mathea  3 , Andrew Palmer  3 , Volker Settels  3 , Tommi Jaakkola  1 , Klavs Jensen  2 , Regina Barzilay  1
Affiliations
Published Erratum

Correction to Analyzing Learned Molecular Representations for Property Prediction

Kevin Yang et al. J Chem Inf Model. .
No abstract available

PubMed Disclaimer

Figures

Figure 1
Figure 1
(random split, higher = better) Comparison to baselines on public data sets with original (left) and fixed (right) random forest numbers using a random split.
Figure 2
Figure 2
(scaffold split, higher = better) Comparison to baselines on public data sets with original (left) and fixed (right) random forest numbers using a scaffold split.
Figure 3
Figure 3
(time split, higher = better) Comparison to baselines on Amgen data set with original (left) and fixed (right) random forest numbers using a time split.
See this image and copyright information in PMC

Erratum for

  • Analyzing Learned Molecular Representations for Property Prediction.
    Yang K, Swanson K, Jin W, Coley C, Eiden P, Gao H, Guzman-Perez A, Hopper T, Kelley B, Mathea M, Palmer A, Settels V, Jaakkola T, Jensen K, Barzilay R. Yang K, et al. J Chem Inf Model. 2019 Aug 26;59(8):3370-3388. doi: 10.1021/acs.jcim.9b00237. Epub 2019 Aug 13. J Chem Inf Model. 2019. PMID: 31361484 Free PMC article.

Publication types