CCL: new release of Diversity Genie
- From: "Igor Filippov"
<info_+_diversitygenie.com>
- Subject: CCL: new release of Diversity Genie
- Date: Tue, 16 Jun 2015 09:10:02 -0400
Sent to CCL by: "Igor Filippov" [info_._diversitygenie.com]
Dear Colleagues,
We are happy to announce the release of Diversity Genie 2.0.
It is a tool to analyse and manipulate SD, SMILES, and InChI files.
Diversity Genie allows to visualize molecular space on a Sammon map,
quickly sort and filter sets of millions of records, compute many common
chemoinformatics properties, and plot graphs.
The new features in 2.0 include:
- Ability to map up to 5 properties on the molecular map.
- New plotting functions: property histogram, ROC plot, property vs. property
graph,
which also include calculation of the AUC (area under the curve), mean property
value, and a correlation coefficient.
- Append file can now load a dataset from another tab in addition to external
files.
- Ability to tag a dataset (add a tag property).
To download free trial for Windows, OS X, and Linux please visit
http://www.diversitygenie.com/
We hope you will enjoy using Diversity Genie 2.0 and please
do not hesitate to contact us with any questions or suggestions.
Igor Filippov
VIF Innovations, LLC
Iwona Weidlich
CODDES, LLC