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title
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image
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updated
2026-02-26 13:15:31
raw text
Aggregator Advisor / Shoichet Laboratory @ UCSF Twicet Home Help Gallery Contact This tool has recently been updated. (June 2022). Please direct correspondence to chemistry4biology at gmail dot com Click here for a python batch query script Aggregator Advisor identifies molecules that are known-to aggregate or may aggregate in biochemical assays. The approach is based on the chemical similarity to known aggregators, and physical properties. Please cite: Irwin, Duan, Torosyan, Doak, Ziebart, Sterling, Tumanian and Shoichet, J.Med.Chem, 2015, 58(17), 7076-7087 . Two blog posts provide additional perspective: In the Pipeline and Practical Fragments . To use this service, enter the SMILES of the molecule(s) you are interested in, or use the WebME editor tool to draw and press "Search". For instance, yo...
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