From owner-chemistry@ccl.net Mon May  7 12:30:00 2018
From: "Igor Filippov info . diversitygenie.com" <owner-chemistry%x%server.ccl.net>
To: CCL
Subject: CCL: release of Diversity Genie 3
Message-Id: <-53297-180507090010-9120-0T/10aKR91ITypyo7sFl7A%x%server.ccl.net>
X-Original-From: "Igor  Filippov" <info]-[diversitygenie.com>
Date: Mon, 7 May 2018 09:00:04 -0400


Sent to CCL by: "Igor  Filippov" [info,diversitygenie.com]
Dear colleagues,

I am happy to announce the release of Diversity Genie 3.
Diversity Genie is a desktop software tool which allows to analyze and manipulate chemical data. Its capabilities include: 

* mapping molecules and their properties with sammon embedding.

* filtering and converting sets of molecules in SDF, SMILES, and InChI formats.

* plotting histograms, scatter plots, and ROC curves.

* Computing well-known molecular properties and merging CSV files.

* Creating machine learning models using powerful gradient boosting methods.

Diversity Genie 3 is completely free to use by academia and for personal non-commercial use. You can download Windows, OSX, and Linux builds at

www.diversitygenie.com

Please feel free to contact me with any questions,

Igor Filippov
VIF Innovations, LLC