maomlab/AggregatorAdvisor

Aggregator Advisor The Aggregator Advisor is a web-tool hosted by the Shoichet Lab at UCSF and used to assess the risk of a molecules being an aggregetor, may aggregate in biochemical assays based on the chemical similarity to known aggregators, and physical properties. The most current release (2022/06) contains 12645 known aggregator molecules from 20 sources. The train and test datasets uploaded to our Hugging Face repository have been sanitized and split from the original… See the full description on the dataset page: https://huggingface.co/datasets/maomlab/AggregatorAdvisor.