CCG Video Library

Reverse Fingerprints (I): Motif Detection and Activity Labeling

Reverse fingerprints can be used to map on to molecular structures the motifs which are important for a molecular property of interest. This webinar covers the theory of reverse fingerprinting and presents examples of its application to identify pharmacophore and toxicophore motifs in different molecular series, and to score individual atoms based on their contributions to a property.

Airdate: November 5, 2020

[link]video.chemcomp[d]com/watch/Gfz955R2KAyqcGGZ8iwEfc?second=90&autoplay=1[label]1:30 Understanding Molecular Fingerprints [link end]
[link]video.chemcomp[d]com/watch/Gfz955R2KAyqcGGZ8iwEfc?second=378&autoplay=1[label]6:18 Exploring Reverse Fingerprinting [link end]
[link]video.chemcomp[d]com/watch/Gfz955R2KAyqcGGZ8iwEfc?second=750&autoplay=1[label]12:30 Applications of Reverse Fingerprinting [link end]
[link]video.chemcomp[d]com/watch/Gfz955R2KAyqcGGZ8iwEfc?second=1107&autoplay=1[label]18:27 Identifying Toxicophores and Pharmacophores [link end]
[link]video.chemcomp[d]com/watch/Gfz955R2KAyqcGGZ8iwEfc?second=1962&autoplay=1[label]32:42 Labeling Atomic Contributions to Activity [link end]