{"id":18865,"date":"2021-07-22T14:23:31","date_gmt":"2021-07-22T18:23:31","guid":{"rendered":"https:\/\/iupac.org\/?page_id=18865"},"modified":"2024-09-23T06:19:22","modified_gmt":"2024-09-23T10:19:22","slug":"digital-standards","status":"publish","type":"page","link":"https:\/\/iupac.org\/what-we-do\/digital-standards\/","title":{"rendered":"Digital Standards"},"content":{"rendered":"<p>With the increasing focus on open science and FAIR data, IUPAC is focusing effort toward the development of digital standards for chemistry.\u00a0 Led by members of the IUPAC Committee on Publications and Chemical Data Standards (<a href=\"https:\/\/iupac.org\/body\/024\"><span style=\"font-weight: 400;\">CPCDS<\/span><\/a>), chemists and data scientists must translate existing chemical standards into the digital space, to support the chemistry community. Below are currently available digital standards developed through IUPAC, active projects and related resources.\u00a0 If you are interested in finding out more about these standards or have suggestions for new projects, please contact <a href=\"https:\/\/iupac.org\/member\/leah-r-mcewen\/\">Leah McEwen<\/a>, Chair of CPCDS.<\/p>\n<p>&nbsp;<\/p>\n<h2>Digital Standards<\/h2>\n<ul>\n<li style=\"font-weight: 400;\" aria-level=\"1\">The IUPAC International Chemical Identifier (InChI)\n<ul>\n<li style=\"font-weight: 400;\" aria-level=\"2\"><a href=\"https:\/\/www.inchi-trust.org\/\">The InChI Trust<\/a><span style=\"font-weight: 400;\"> (<\/span><a href=\"https:\/\/www.inchi-trust.org\/downloads\/\">Downloads<\/a>, <a href=\"https:\/\/www.inchi-trust.org\/technical-faq-2\/\">Technical FAQ<\/a>, <a href=\"https:\/\/www.inchi-trust.org\/oer\/\">Open Educational Resource (OER)<\/a>)<\/li>\n<li style=\"font-weight: 400;\" aria-level=\"2\">Reaction InChI (RInChI) (<a href=\"https:\/\/doi.org\/10.1186\/s13321-018-0277-8\">paper<\/a>)<\/li>\n<li style=\"font-weight: 400;\" aria-level=\"2\">Mixture InChI (MInChI) (<a href=\"https:\/\/iupac.org\/project\/2015-025-4-800\">project<\/a>) (<a href=\"https:\/\/github.com\/IUPAC\/MInChI\">&gt;GitHub<\/a><span style=\"font-weight: 400;\">)\u00a0<\/span><\/li>\n<\/ul>\n<\/li>\n<li style=\"font-weight: 400;\" aria-level=\"1\"><a href=\"https:\/\/iupac.org\/what-we-do\/digital-standards\/thermoml\/\">ThermoML<\/a><\/li>\n<li style=\"font-weight: 400;\" aria-level=\"1\"><a href=\"https:\/\/iupac.org\/what-we-do\/digital-standards\/jcamp-dx\/\">JCAMP-DX<\/a><\/li>\n<\/ul>\n<p>&nbsp;<\/p>\n<h2>Under Development<\/h2>\n<ul>\n<li style=\"list-style-type: none;\">\n<ul>\n<li style=\"font-weight: 400;\" aria-level=\"1\"><a href=\"\/project\/2019-002-2-024\">IUPAC project: IUPAC SMILES+ Specification<\/a> (<a href=\"https:\/\/github.com\/IUPAC\/IUPAC_SMILES_plus\">GitHub<\/a><span style=\"font-weight: 400;\">)<\/span><\/li>\n<li style=\"font-weight: 400;\" aria-level=\"1\"><a href=\"\/project\/2019-020-2-024\">IUPAC project: Machine-Accessible Periodic Table<\/a><\/li>\n<li style=\"font-weight: 400;\" aria-level=\"1\"><a href=\"\/project\/2019-031-1-024\">IUPAC project: Development of a Standard for FAIR Data Management of Spectroscopic Data<\/a><\/li>\n<li style=\"font-weight: 400;\" aria-level=\"1\"><a href=\"\/project\/2020-018-1-024\">IUPAC project: Development of a Metadata Schema for Critically Evaluated Solubility Measurement Data<\/a><\/li>\n<li style=\"font-weight: 400;\" aria-level=\"1\"><a href=\"https:\/\/iupac.org\/project\/2022-009-1-100\/\">CODATA Digital Representation of Units of Measurement (DRUM) Task Group<\/a><\/li>\n<li style=\"font-weight: 400;\" aria-level=\"1\"><a href=\"https:\/\/iupac.org\/project\/2022-012-1-024\/\">WorldFAIR Chemistry: making IUPAC assets FAIR<\/a><\/li>\n<\/ul>\n<\/li>\n<\/ul>\n<p>&nbsp;<\/p>\n<h2>Related Electronic Resources<\/h2>\n<ul>\n<li style=\"font-weight: 400;\" aria-level=\"1\"><a href=\"https:\/\/goldbook.iupac.org\/\">The IUPAC Gold Book<\/a><\/li>\n<li style=\"font-weight: 400;\" aria-level=\"1\"><a href=\"https:\/\/www.ifcc.org\/ifcc-scientific-division\/sd-committees\/c-npu\/\">The IFCC-IUPAC Nomenclature, Properties and Units of Clinical Chemistry and Laboratory Medicine (NPU)<\/a><\/li>\n<li aria-level=\"1\"><a href=\"https:\/\/github.com\/IUPAC\/Dissociation-Constants\" target=\"_blank\" rel=\"noopener\">IUPAC Digitized pKa Dataset<\/a><\/li>\n<\/ul>\n<p>&nbsp;<\/p>\n","protected":false},"excerpt":{"rendered":"<p>With the increasing focus on open science and FAIR data, IUPAC is focusing effort toward the development of digital standards for chemistry.\u00a0 Led by members of the IUPAC Committee on [&hellip;]<\/p>\n","protected":false},"author":28,"featured_media":0,"parent":418,"menu_order":23,"comment_status":"closed","ping_status":"closed","template":"","meta":{"_acf_changed":false,"_price":"","_stock":"","_tribe_ticket_header":"","_tribe_default_ticket_provider":"","_tribe_ticket_capacity":"0","_ticket_start_date":"","_ticket_end_date":"","_tribe_ticket_show_description":"","_tribe_ticket_show_not_going":false,"_tribe_ticket_use_global_stock":"","_tribe_ticket_global_stock_level":"","_global_stock_mode":"","_global_stock_cap":"","_tribe_rsvp_for_event":"","_tribe_ticket_going_count":"","_tribe_ticket_not_going_count":"","_tribe_tickets_list":"[]","_tribe_ticket_has_attendee_info_fields":false,"footnotes":"","_tec_slr_enabled":"","_tec_slr_layout":""},"class_list":["post-18865","page","type-page","status-publish","hentry"],"acf":[],"yoast_head":"<!-- This site is optimized with the Yoast SEO plugin v25.4 - 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