CCL: alvaDesc - software for calculation of molecular FPs and
descriptors
- From: "Andrea Mauri" <andrea.mauri ..
alvascience.com>
- Subject: CCL: alvaDesc - software for calculation of molecular FPs
and descriptors
- Date: Tue, 29 Jan 2019 06:23:00 -0500
Sent to CCL by: "Andrea Mauri" [andrea.mauri() alvascience.com]
Dear all,
I am glad to announce the availability of a new software for the the
calculation of molecular descriptors and molecular fingerprints.
It calculates a comprehensive collection of more than 5000 molecular
descriptors (0D, 1D, 2D, 3D molecular descriptors).
It can also calculate both MACCS166 fingerprint and a customisable version
of hashed molecular fingerprint (Extended Connectivity Fingerprint and Path
Fingerprint).
alvaDesc is available for Windows, Linux and Mac. Additional information
can be found at: https://www.alvascience.com/alvadesc/?utm_source=ccl
Alvascience is a company providing software products and targeted
consulting to reduce the gap between science and IT. Alvascience expertise
is in chemoinformatics, molecular modelling and data science.
(https://www.alvascience.com)
Any feedback is really appreciated.
Best regards,
Andrea Mauri
Andrea Mauri, PhD
mail - andrea.mauri:-:alvascience.com
Alvascience srl - http://www.alvascience.com/