CCL: Webinar: Molecular Descriptors Generation with alvaDesc
- From: "Andrea Mauri"
<andrea.mauri!^!alvascience.com>
- Subject: CCL: Webinar: Molecular Descriptors Generation with
alvaDesc
- Date: Tue, 19 Nov 2024 03:06:10 -0500
Sent to CCL by: "Andrea Mauri" [andrea.mauri[]alvascience.com]
Dear All,
I am glad to share the free webinar hosted by Alvascience: Molecular
Descriptors Generation with alvaDesc.
AlvaDesc is a tool designed for the seamless calculation of a wide range of
molecular descriptors, molecular fingerprints, and user-defined structural
patterns (Mauri, A. (2020). alvaDesc: A Tool to Calculate and Analyze Molecular
Descriptors and Fingerprints. In K. Roy (Ed.), Ecotoxicological QSARs (pp. 801
820). Humana Press Inc. https://doi.org/10.1007/978-1-0716-0150-1_32).
Webinar Highlights:
Molecular descriptors calculation
New 3D coordinates generation
Molecular fingerprints calculation
Structural patterns identification with SMARTS syntax
Data analysis of calculated descriptors
Integration with KNIME and Python
Wednesday, March 29, 2023
09:30 AM | (CEST) Amsterdam, Berlin, Bern, Rome, Stockholm, Vienna | 1 hr
Please register using the following link:
https://events.teams.microsoft.com/event/b7a76c8e-0662-457f-b229-
2610293d0c34*a2414e1c-7a0c-4837-a9ca-ee35b0412683
Best regards,
Andrea Mauri