#bblean

@iwatobipen.bsky.social

1 month ago

New clustering algorithm for cheminformatics #bblean #cheminformatics #RDKit Clustering is one of the common but really important task of cheminformatics. There are lots of clustering algorithms are know as readers know, but now we should struggle with huge amount of compound dataset such as Enamine Real, WuXi Galaxy, ZINC and so on in the Era of AI driven drug discovery. It's becomming taugh task for calcuating huge amount of compound properties, fingerprints and clustring them.

New clustering algorithm for cheminformatics #bblean #cheminformatics #RDKit

Clustering is one of the common but really important task of cheminformatics. There are lots of clustering algorithms are know as readers know, but now we should struggle with huge amount of compound dataset such as…

Posts tagged #bblean