SIFAT-SIFAT SUBSTANSI PANGAN FUNGSIONAL YANG AMAN - Andrianopsyah Mas Jaya Putra (Fakultas Farmasi Universitas 17 Agustus 1945 Jakarta, 2016)
Abstract A computational research was conducted to investigate the properties of safe functional food substances. A dataset of nutraceuticals in the market (84 data) was compared to a dataset of drugs which had been withdrawn by the Food and Drug Administration (FDA) of the United States of America (176 data) by descriptor mapping. Five descriptors were calculated for the two datasets: Molweight, clogP, clogS, Polar Surface Area, and Shape Index. The results of this research inform us which descriptors are effective to discriminate the two datasets and their ranges. These results would serve as considerations for functional food industries in Indonesia in the selection or design of safe functional food substances. Keywords: functional food, nutraceutical, descriptor mapping, Molweight, clogP, clogS, Polar Surface Area, Shape Index Abstrak Telah dilakukan sebuah penelitian pada komputer untuk mengetahui sifat-sifat substansi pangan fungsional yang aman. Susunan data substansi pangan fungsional di pasaran (nutraceutical; 84 data) dibandingkan terhadap susunan data obat yang telah ditarik dari peredaran oleh Food and Drug Administration (FDA), Amerika Serikat (withdrawn; 176 data) dengan metode peta deskriptor. Ada 5 deskriptor yang dihitung nilainya untuk kedua susunan data tersebut, yaitu: Molweight, clogP, clogS, Polar Surface Area, dan Shape Index. Dari hasil penelitian ini, diketahui deskriptor mana yang efektif untuk membedakan kedua susunan data tersebut dan kisaran nilainya. Hasil penelitian ini kiranya dapat menjadi masukan bagi industri pangan di Indonesia di dalam memilih atau merancang substansi pangan fungsional yang aman. Kata kunci: pangan fungsional, nutraceutical, peta descriptor, Molweight, clogP, clogS, Polar Surface Area, Shape Index