gensmis: Table of 372 SMILES with associated QSPRScore
In iqspr: Inverse Molecular Design
Description
A dataset containing 372 generated SMILES with their QSPRScore
Usage
1
Format
A matrix with 372 rows of 2 variables:
- SMILES
SMILES, in string of characters
- QSPRScore
generation score, in a.u.
...
iqspr documentation built on Aug. 1, 2017, 9:02 a.m.
R Package Documentation
Browse R Packages
We want your feedback!
Note that we can't provide technical support on individual packages. You should contact the package authors for that.
Description
A dataset containing 372 generated SMILES with their QSPRScore
Usage
1 |
Format
A matrix with 372 rows of 2 variables:
- SMILES
SMILES, in string of characters
- QSPRScore
generation score, in a.u.
...
R Package Documentation
Browse R Packages
We want your feedback!
Note that we can't provide technical support on individual packages. You should contact the package authors for that.
Embedding an R snippet on your website
Add the following code to your website.
For more information on customizing the embed code, read Embedding Snippets.