AquaSol specifications

Unique identifier:
OMICS_13722
Restrictions to use:
None
Input format:
SMILES
Programming languages:
Python
Computer skills:
Basic
Maintained:
Yes
Interface:
Web user interface
Input data:
Molecules described by undirected graphs representing their chemical structure, into feature vectors of fixed length
Output data:
Predicted solubility
License:
Apache License version 2.0
Stability:
Stable

AquaSol specifications

Unique identifier:
OMICS_13722
Interface:
Command line interface
Input data:
Molecules described by undirected graphs representing their chemical structure, into feature vectors of fixed length
Output data:
Predicted solubility
Programming languages:
Python
Computer skills:
Advanced
Maintained:
Yes
Software type:
Package/Module
Restrictions to use:
None
Input format:
SMILES
Operating system:
Unix/Linux
License:
Apache License version 2.0
Stability:
Stable

versioning

tutorial arrow
×
Upload and version your source code
Get a DOI for each update to improve tool traceability. Archive your releases so the community can easily visualize progress on your work.
Facilitate your tool traceability
Sign up for free to upload your code and get a DOI

No versioning.

AquaSol distribution

download

AquaSol support

Maintainer

  • Pierre Baldi <>
  • Pierre Baldi <>

forum

tutorial arrow
×
Communicate with other users
Participate in the forum to get support for using tools. Ask questions about technical specifications.
Take part in the discussion
Sign up for free to ask question and share your advices

No open topic.

forum

tutorial arrow
×
Communicate with other users
Participate in the forum to get support for using tools. Ask questions about technical specifications.
Take part in the discussion
Sign up for free to ask question and share your advices

No open topic.

Credits

tutorial arrow
×
Promote your skills
Define all the tasks you managed and assign your profile the appropriate badges. Become an active member.
Promote your work
Sign up for free to badge your contributorship

Publications

Institution(s)

University College Dublin, School of Computer Science and Informatics, Dublin, Ireland; University of California, Irvine, Department of Computer Science, CA, USA

Funding source(s)

This work was partly funded by a GREP Ph.D. scholarship from the Irish Research Council for Science, Engineering and Technology, by the SFI grant 10/RFP/GEN2749 and by the following grants: NSF IIS-0513376, NIH LM010235, and NIH NLM T15 LM07443.

User review

tutorial arrow
×
Vote up tools and offer feedback
Give value to tools and make your expertise visible
Give your feedback on this tool
Sign up for free to join and share with the community

0 user reviews

star_border star_border star_border star_border star_border
star star star star star

0 user reviews

star_border star_border star_border star_border star_border
star star star star star

No review has been posted.

User review

tutorial arrow
×
Vote up tools and offer feedback
Give value to tools and make your expertise visible
Give your feedback on this tool
Sign up for free to join and share with the community

0 user reviews

star_border star_border star_border star_border star_border
star star star star star

0 user reviews

star_border star_border star_border star_border star_border
star star star star star

No review has been posted.

Related Tools