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Other literature type . 2024
License: CC BY
Data sources: ZENODO
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Conference object . 2024
License: CC BY
Data sources: Datacite
ZENODO
Conference object . 2024
License: CC BY
Data sources: Datacite
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From Challenge to Insight: Methodological Trends and Molecular Patterns in CACHE challenge #1

Authors: Jacquemard, Célien;

From Challenge to Insight: Methodological Trends and Molecular Patterns in CACHE challenge #1

Abstract

Poster Presented at the 2024 CACHE Challenge Symposium Abstract: From Challenge to Insight: Methodological Trends and Molecular Analysis in CACHE challenge #1 The first CACHE challenge offered an opportunity for the scientific community to evaluate their virtual screening methodologies aimed at identifying active molecules targeting the WD-40 repeat (WDR) domain of LRRK2. We present a review of the diverse virtual screening methods employed by the top 7 participants, and the associated chemical patterns. By comparing these methodologies, we aim to elucidate prevailing trends in the field. While this first CACHE challenge demonstrates the ability of these techniques to identify bioactive molecules it also underscores a necessity for improvement. This analysis marks an initial step in revealing the state-of-the-art in computational hit finding, which will be updated every four months, as results for new CACHE challenges become available.

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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
0
Average
Average
Average
Green