7th Users' Conference of IT4Innovations

Session

Keynote I

30 Oct 2023, 11:30

atrium (IT4Innovations)

153. The first CACHE challenge: searching for hit molecules in ultra-large chemical databases

Pavel Polishchuk (IMTM, Palacky University)

30/10/2023, 11:30

Users' talks

Keynote

The CACHE initiative (Critical Assessment of Computational Hit-finding Experiments) was created to improve and accelerate development of approaches for primary hit finding. The first competition involved 25 leading groups in computational chemistry and chemoinformatics from all over the world to find promising hit molecules for the WD40 repeat (WDR) domain of leucine-rich repeat kinase 2...