{"action":"opened","issue":{"url":"https://api.github.com/repos/chembl/GLaDOS/issues/417","repository_url":"https://api.github.com/repos/chembl/GLaDOS","labels_url":"https://api.github.com/repos/chembl/GLaDOS/issues/417/labels{/name}","comments_url":"https://api.github.com/repos/chembl/GLaDOS/issues/417/comments","events_url":"https://api.github.com/repos/chembl/GLaDOS/issues/417/events","html_url":"https://github.com/chembl/GLaDOS/issues/417","id":270054061,"number":417,"title":"substructure/similarity searching","user":{"login":"anne123","id":3308733,"avatar_url":"https://avatars0.githubusercontent.com/u/3308733?v=4","gravatar_id":"","url":"https://api.github.com/users/anne123","html_url":"https://github.com/anne123","followers_url":"https://api.github.com/users/anne123/followers","following_url":"https://api.github.com/users/anne123/following{/other_user}","gists_url":"https://api.github.com/users/anne123/gists{/gist_id}","starred_url":"https://api.github.com/users/anne123/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/anne123/subscriptions","organizations_url":"https://api.github.com/users/anne123/orgs","repos_url":"https://api.github.com/users/anne123/repos","events_url":"https://api.github.com/users/anne123/events{/privacy}","received_events_url":"https://api.github.com/users/anne123/received_events","type":"User","site_admin":false},"labels":[{"id":327508663,"url":"https://api.github.com/repos/chembl/GLaDOS/labels/bug","name":"bug","color":"fc2929","default":true}],"state":"open","locked":false,"assignee":null,"assignees":[],"milestone":null,"comments":0,"created_at":"2017-10-31T17:45:26Z","updated_at":"2017-10-31T17:45:26Z","closed_at":null,"author_association":"NONE","body":"If you do a substructure or similarity search I don't think this is returning data on the salts.  Numbers are always smaller than on the old interface.\r\n\r\nExamples:\r\n 1. sildenafil similarity search returns data on sildenafil but not the citrate which is the drug\r\n\r\n2. using chlorpromazine as a substructure search returns data on 75 compounds and 4397 data points.  In the old interface the number of the compounds is the same (75 - as parents and salts are aggregated) but the number of data points is 5085.\r\n"}}
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