Скачать или смотреть User Meeting 15: Scaffold Tree, Docking&Cheminformatics Updates, ADME-Tox, Dendrogram, Grid Forms

The 15th meeting was held on Friday, February 24th, 2023. During the meeting, we presented several new visualization, prediction, and data summarization features. Additionally, we shared a number of Cheminformatics updates and held discussions on future improvements.
00:00 Agenda
01:31 Scaffold Tree
Docking & Cheminformatics Updates:
10:21 Docking
16:30 New Top Menu structure
17:33 Tooltip for molecular columns
18:15 Sketcher improvements
18:41 Substructure search with both real and query aromatics
21:19 Color-coding for the viewers of Similarity and Diversity Searches
25:30 ADME-Tox
Dendrogram & Hierarchical Clustering:
32:54 Dendrogram
36:50 Hierarchical Clustering
38:50 Discussion on future improvements
45:11 Grid Forms
59:54 Custom tooltip per column
1:03:48 Discussion over next meeting topics: Curve Fitting, Modeling Environment, Differential Equations, and Macromolecules