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However, in practical scenarios, the environment of even the most stable molecules contains water, proteins, and other species; therefore, their actual structures significantly differ from those in vacuum and have multiple structures. Herein, both two\u2010dimensional and 3D molecular descriptors, which accepted the existence of multiple conformers, were calculated, and a conformer\u2010based 3D\u2010QSAR model (C3D\u2010QSAR) that considered the chemical structures of conformers was developed. The prediction accuracy of the C3D\u2010QSAR method determined by analyzing the data sets obtained for the angiotensin\u2010converting enzyme and dihydrofolate reductase inhibitors was found to be higher than those of the existing QSAR models.<\/jats:p>","DOI":"10.1002\/minf.202000123","type":"journal-article","created":{"date-parts":[[2020,9,8]],"date-time":"2020-09-08T13:07:18Z","timestamp":1599570438000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":10,"title":["Two\u2010 and Three\u2010dimensional Quantitative Structure\u2010activity Relationship Models Based on Conformer Structures"],"prefix":"10.1002","volume":"40","author":[{"given":"Fumika","family":"Nitta","sequence":"first","affiliation":[{"name":"Department of Applied Chemistry School of Science and Technology Meiji University, 1\u20131-1 Higashi-Mita, Tama-ku  Kawasaki Kanagawa 214-8571 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