From owner-chemistry@ccl.net Tue Apr 27 09:38:00 2021
From: "Andrea Mauri andrea.mauri-$-alvascience.com" <owner-chemistry*_*server.ccl.net>
To: CCL
Subject: CCL: New release of alvaBuilder - software for de novo molecular design
Message-Id: <-54314-210427040508-458-AmulWqpoqxKsadYQ9fh9+A*_*server.ccl.net>
X-Original-From: "Andrea  Mauri" <andrea.mauri^_^alvascience.com>
Date: Tue, 27 Apr 2021 04:05:05 -0400


Sent to CCL by: "Andrea  Mauri" [andrea.mauri{}alvascience.com]
Dear all,

I am glad to let you know that we have released a new version of our tool 
for de novo molecular design, alvaBuilder 
(https://www.alvascience.com/alvaBuilder/?
utm_source=ccl&utm_medium=mail&utm_campaign=alvaBuilder).

alvaBuilder can be used to generate new molecules having a desirable set of 
properties:
- a defined target value for a set of molecular properties (MW, logP, 
SAscore, QED, etc.); 
- similarity to a given molecule
- presence or absence of a specific substructure (defined using SMARTS)
- a defined fragment that have to be present in all the generated molecules

For more information you can consult our site where you can also find the
introductory videos (also available on our YouTube channel:
https://www.youtube.com/channel/UCoiZMgz4L0XT9W_YIpLb2xg).

Best regards,
Andrea Mauri