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Tag: machine learning

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Macinchem Blog

Apply to lead a strategic research lab dedicated to fundamental artificial intelligence (AI) development. 

2 March 20262 March 2026 chris

This looks like an amazing opportunity. Apply to lead a strategic research lab dedicated to advancing the UK’s position in fundamental  artificial intelligence (AI) development.

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Data Analysis Tools Hints and Tutorials Macinchem Blog

CHEMBL2ML

28 February 202628 February 2026 chris

An interesting web app that fetches ChEMBL bioactivity data for a target (via UniProt ID), computes molecular descriptors, and trains a simple predictive model (regression, with

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Hints and Tutorials Macinchem Blog Vortex Scripts

Vortex script using BioTransformer

22 February 202622 February 2026 chris

Prediction of the metabolism of small molecules is very challenging and so having a variety of different tools is always useful. I’ve previously written Vortex

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Hints and Tutorials Jupyter Notebook Macinchem Blog Uncategorised Vortex Scripts

PROTAC-Splitter: A Machine Learning Framework for Automated Identification of PROTAC Substructures

11 February 202614 February 2026 chris

PROteolysis TArgeting Chimeras (PROTACs) technology provides an alternative to module biological function by specially using the ubiquitin proteasome system to induce degradation of the target

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Macinchem Blog

AI Club for Biomedicine

16 January 202616 January 2026 chris

Next up Date: 5 February 2026 Lecture Theatre, Jeffrey Cheah Biomedical Centre, Puddicombe Way, Cambridge CB2 0AW. No need to register in advance – just

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Data Analysis Tools Hints and Tutorials Macinchem Blog Science Apps

TabPFN-2.5

10 November 202510 November 2025 chris

I’ve reviewed TabPFN in the past. https://macinchem.org/2025/02/06/looking-at-tabpfn and I noticed there was a recent update. TabPFN is a foundation model  trained on around 130,000,000 synthetically generated

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Hints and Tutorials Macinchem Blog

Use the Foundation Models framework to access the on-device LLM that powers Apple Intelligence.

8 October 2025 chris
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Macinchem Blog

OpenADMET Challenge

5 October 20255 October 2025 chris

OpenADMET have just announced the ExpansionRx-OpenADMET blind challenge in partnership with Expansion Therapeutics. Expansion Therapeutics have decided to make all the ADMET publicly available. “We

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Data Analysis Tools Hints and Tutorials Jupyter Notebook Macinchem Blog Software Reviews

Looking at TabPFN

6 February 202517 February 2025 chris

TabPFN is a foundation model  trained on around 130,000,000 synthetically generated datasets that mimic “real world” tabular data. These datasets sampled dataset size and number

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Data Analysis Tools Hints and Tutorials Macinchem Blog Science Apps Software Reviews

TabPFN on Apple Silicon

31 January 202531 January 2025 chris

A recent paper published in Nature caught my eye, Accurate predictions on small data with a tabular foundation model by Hollmann et al., Here we present

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