This release adds 1,497 active pharmaceutical ingredients to the ChemMeta library. Pharmaceutical content is available to select users interested in participating as beta testers of this initial release. Please contact your account manager to learn more. ChemMeta's non-pharmaceutical content will be updated with the latest scientific findings upon next release in approximately two weeks time.
Active pharmaceutical ingredients
ChemMeta's chemical library now includes 1,497 active pharmaceutical ingredients (APIs) approved for marketing in the United States by the Food and Drug Administration (FDA) as of August 2018 (1). APIs are identified by their International Nonproprietary Name and also indexed by their United States Adopted Name. CAS numbers and brand names are also listed where available. APIs are grouped by their active moiety and not by individual salt forms of each ingredient. For example, codeine phosphate, codeine hydrochloride, and codeine sulfate are listed together as codeine. Prodrugs – active moieties modified to require biological activation – are shown in separate profiles. For example, unmodified testosterone is listed separately from its prodrugs testosterone undecanoate, testosterone proprionate, and testosterone cypionate.
As with all ChemMeta chemicals, APIs have a status of (A) "no relevant literature," (B) "not validated," or (C) "validated." As described in previous release notes, article-level relevance is determined algorithmically. APIs with no articles that pass the relevance threshold are deemed to have "no relevant literature" at the time of release. As also explained in previous release notes, we require all API-harm hypotheses reporting General Acceptance (GA) scores to be first validated for relevance by a human analyst. A validated hypothesis must be supported by two or more human-coded relevant in vitro studies or at least one human-coded relevant animal or human study. An API with at least one validated hypothesis is given a status of "validated." Finally, APIs with scientific literatures deemed relevant by our algorithms, but that have yet to be validated by human analysts, are given a status of "not validated."
171 APIs have been validated in this initial release spanning 394 harm hypotheses (2); 1,163 APIs have potentially relevant literature, but have not been validated, whereas 163 APIs have no relevant literature at all. Users can use the portfolio functionality (3) to filter the chemical dashboard and chemicals, hypotheses, and literature tables for subsets of APIs of particular interest to them; "all pharmaceuticals" and "validated pharmaceuticals" portfolios are already specified.
ChemMeta displays label warning information for all validated APIs. For each harm hypothesis, ChemMeta indicates whether there are warnings that potentially apply to that harm. Moving the cursor over the harm reveals the specific warnings that apply to that harm category (4). For example, the FDA-approved label for aripiprazole warns for neuroleptic malignant syndrome, seizures, convulsions, and impaired body temperature regulation, all of which ChemMeta associates with the general harm category nervous system injury. ChemMeta also indicates which of these warnings are "boxed" warnings, an indication of the severity of the warning as determined by the FDA (5). Boxed warnings are also listed on the API identification card. Please note that boxed warnings are currently not displayed for non-validated APIs.
Identification cards are available for all 1,497 APIs. Among other information, the identification card links to an FDA-approved label (6), lists the API's first approval date (7), and enumerates the drug's indications (8). Users can can also see a list of portfolios that contain the API (9).