Published August 25, 2026 | Version v2
Data paper Open

ChI-SOM Paper Results

Description

Scripts and data for the generation of results leading to the conclusion in the ChI-SOM publication.

This includes

  • Generation and analysis of synthetic and chemiformatical dimensionality reduction problem sets using t-SNE, UMAP and emergent SOM (ESOM)
  • Runtime and memory benchmark of the ChI-SOM implementation
  • Scripts for the generation and analysis of a 5.7m neuron ChEMBL33 ESOM

Files

Files (27.2 GB)

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md5:13d5b4747559aaea0ae2292d4bc220a6
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Additional details

Related works

Is published in
Data paper: 10.26434/chemrxiv.15000904/v1 (DOI)

Funding

Bundesministerium für Forschung, Technologie und Raumfahrt
16DHBKI049

Dates

Updated
2026-08-20
Submitted
2026-03