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...directly to several interesting starting points such as ATC codes, genes, patterns and rings. Ask Questions lists some interesting questions that ZINC can a '''Please note: curation of patterns is ongoing and will change in the coming months. In particular, the Reactiv

Any inputs of additional reaction SMARTS patterns can be requested by emailing mtsukanov at berkeley dot edu. Send in a list

Any inputs of additional reaction SMARTS patterns can be requested by emailing mtsukanov at berkeley dot edu. Send in a list

...such as aldehydes, thiols, and Michael acceptors. Notably, it allows PAINS patterns to pass for which their is no clear mechanism. To eliminate PAINS compoun

World drugs having one or more PAINS patterns: http://zinc15.docking.org/substances/subsets/world/having/patterns/subsets/pains/?sort=no