Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Add additional modelling datasets #103

Open
ghost opened this issue Feb 18, 2017 · 0 comments
Open

Add additional modelling datasets #103

ghost opened this issue Feb 18, 2017 · 0 comments

Comments

@ghost
Copy link

ghost commented Feb 18, 2017

I have been pointed by a reviewer of our nano-lazar paper to the Paca2 NM cell uptake dataset (109 nanoparticles with common core). It has been used by a couple of authors, but the training data usually comes as Word/PDF document from non-open access journals. Singh and Gupta (http://pubs.rsc.org/-/content/articlehtml/2014/ra/c4ra01274g) have used it together with four additional interesting datasets, they have also core and coating SMILES structures (e.g. for fullerenes) in the supplementary material (again als PDF). I am not sure if an inclusion of these datasets into eNM is realistic (licensing issues, scraping/annotating data from PDF/Word, ...), but it would be of course attractive from a modellers perspective.

@ghost ghost added the enhancement label Feb 18, 2017
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Projects
None yet
Development

No branches or pull requests

0 participants