This release of ChemMeta significantly expands the universe of profiled chemicals and introduces a greatly enhanced chemical portfolio dashboard that presents a range of data views describing the current state of associated scientific literatures, how those literatures have changed in recent months, and how they might evolve in the future. This release also includes a variety of enhancements to the chemical summary page.
New chemical content
The universe of chemicals within ChemMeta now consists of all chemicals listed under California Proposition 65 and chemicals present on one of four lists maintained by the European Chemicals Agency (ECHA) in support of the European Union's chemical safety regulation known as REACH. The four REACH lists are REACH Authorization, REACH Restriction, REACH Candidate, and REACH Community Action Plan (CoRAP). ChemMeta also profiles a small number of additional chemicals that are not listed under California Proposition 65 or REACH, but continue to be monitored by Praedicat's emerging risk platform, CoMeta.
ChemMeta now reports the profile status of each chemical (1). The profile status of each chemical is either (A) "no relevant literature," (B) "not validated," or (C) "validated." As described in previous release notes, article-level relevance is determined algorithmically. Chemicals 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 chemical-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. A chemical with at least one validated hypothesis is given a status of "validated." Finally, chemicals 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."
This release includes 1,838 chemicals in total: 954 of these chemicals are validated (with 2,646 validated hypotheses), 478 chemicals have no relevant literature, and 406 chemicals have potentially relevant literature, but have not been validated.
Enhanced chemical portfolio dashboard
The chemical portfolio dashboard now reports a range of data views describing the evolution of associated scientific literatures. At the top of the dashboard (2), users can select which portfolio to display within the dashboard. The "All Chemicals" portfolio contains all chemicals currently within ChemMeta. The "Favorites" portfolio contains chemicals selected by the user. Chemicals can be added to or removed from the Favorites portfolio from either the chemical summary page or the chemical list view. Additional portfolios that have been defined within a user's company can be accessed from the "Portfolios" menu. Please contact your account manager if you would like to define a new company-level portfolio.
The dashboard offers four data views for a given portfolio. The first data view shows the distribution of GA scores within the portfolio, where each chemical is associated with the maximum GA score for that chemical (3). This distribution can be shown for both current GA scores and for future projected GA scores. The second data view shows the ten chemical-harm hypotheses within the portfolio with the highest GA scores (4). The third data view lists a selection of articles, hypotheses, and chemicals that have been recently added to ChemMeta (5). Articles are ranked by influence, whereas hypotheses and chemicals are ranked by current GA score. A fourth data view shows the ten hypotheses or chemicals with the greatest change in GA scores over the past 12 months (6).
Enhanced chemical summary page
The chemical summary page now includes a chemical identification panel, an interactive General Acceptance plot, and a revised scientific literature table. The identification panel reports chemical name, status, synonyms, CAS No., formula, molecular weight, and structure. From the identification panel, users can also select or deselect a chemical for inclusion in their Favorites portfolio (7).
The General Acceptance plot has been redesigned to display both historical and projected GA scores (8) and to allow users to select which harms to display (9). Users can select which projection statistic (e.g., expected value (EV), median-50th percentile) to display for all selected harms (10) or choose to display the full distribution of projected GA scores for any one harm (11).
Users can also now display GA scores in table format (12). The "GA" column of the table displays the GA score for the selected historical year (13), whereas the columns shaded in blue display statistics corresponding to the projected GA score in the selected projected year (14).
The Literature table (15) lists every article contributing to the GA score for each of the chemical's harm hypotheses. The literature table lists article title (with a link to the publisher's website), authors, journal, publication date, and article metadata (with associated confidence and influence scores) employed to compute hypothesis-level GA scores.
ChemMeta now includes a literature table listing every article contributing to published GA scores (16). This table can be filtered by portfolio, chemical, and harm hypothesis and includes all of the article-level data described in the previous section.