> For the complete documentation index, see [llms.txt](https://ersilia.gitbook.io/ersilia-workshops/llms.txt). Markdown versions of documentation pages are available by appending `.md` to page URLs; this page is available as [Markdown](https://ersilia.gitbook.io/ersilia-workshops/ai4dd-latam/sessions/monday-afternoon-demo.md).

# Monday afternoon (demo)

Online demo on how to use the Ersilia Model Hub for compound prioritization

In this session, we will present a live demo on how to use models from the [Ersilia Model Hub](https://github.com/ersilia-os/ersilia) to predict compound properties and antimicrobial activity.

As an example, we are screening a library of approximately 1,000 compounds in search of promising candidates that are active against *Klebsiella pneumoniae*. This pathogen is listed as a critical priority by the WHO and belongs to the group of ESKAPE pathogens, which were initially identified as critical multidrug-resistant bacteria for which effective therapies are urgently needed.

In brief, we will predict activity against *Klebsiella pneumoniae* using the in-house Ersilia model trained on ChEMBL bioactivity data. We will also use auxiliary methods to evaluate their cytotoxicity and 2D projections.

## Materials

* [<mark style="color:$primary;">Slide deck</mark>](https://drive.google.com/file/d/13lVIAo0aRV0zkkry4qwF9_fBaeQXMV3B/view?usp=drive_link)
* [<mark style="color:$primary;">Compound library</mark>](https://drive.google.com/drive/folders/14KKFZHITIBRvcovA612fZAbpms2EZSIQ?usp=drive_link)
* [<mark style="color:$primary;">Precalculated results</mark>](https://drive.google.com/drive/folders/1n8uwAxszQzXieDvt_9_CAZauiZfb4ro3?usp=drive_link)
* [<mark style="color:$primary;">Ersilia GUI</mark>](https://hub.ersilia.io/)


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