11401 IUPAC Gold Book - 3D searching 10.1351/goldbook.11401 11401 current 1 A virtual screening method that processes a chemical database to discover those compounds that match a query that either contains a 3D pharmacophore, a molecular shape or field, the 3D structure, or a combination of these. 3D structure https://goldbook.iupac.org//terms/view/11402 pharmacophore https://goldbook.iupac.org//terms/view/11485 virtual screening https://goldbook.iupac.org//terms/view/11533 PAC, 2016, 88, 239. 'Glossary of terms used in computational drug design, part II (IUPAC Recommendations 2015)' on page 240 (https://doi.org/10.1515/pac-2012-1204) https://goldbook.iupac.org/terms/view/11401/html https://goldbook.iupac.org/terms/view/11401/json https://goldbook.iupac.org/terms/view/11401/plain Citation: '3D searching' in IUPAC Compendium of Chemical Terminology, 5th ed. International Union of Pure and Applied Chemistry; 2025. Online version 5.0.0, 2025. 10.1351/goldbook.11401 The IUPAC Gold Book is licensed under Creative Commons Attribution-ShareAlike CC BY-SA 4.0 International (https://creativecommons.org/licenses/by-sa/4.0/) for individual terms. If you are interested in licensing the Gold Book for commercial use, please contact the IUPAC Executive Director at executivedirector@iupac.org . The International Union of Pure and Applied Chemistry (IUPAC) is continuously reviewing and, where needed, updating terms in the Compendium of Chemical Terminology (the IUPAC Gold Book). Users of these terms are encouraged to include the version of a term with its use and to check regularly for updates to term definitions that you are using. 2026-08-06T20:01:17+00:00