Jurnal Pengembangan Teknologi Informasi dan Ilmu Komputer
Vol 3 No 5 (2019): Mei 2019

Klasifikasi Senyawa Kimia dengan Notasi Simplified Molecular Input Line Entry System (SMILES) menggunakan Metode Extreme Learning Machine (ELM)

Isti Marlisa Fitriani (Fakultas Ilmu Komputer, Universitas Brawijaya)
Dian Eka Ratnawati (Fakultas Ilmu Komputer, Universitas Brawijaya)
Syaiful Anam (Fakultas Matematika dan Ilmu Pengetahuan Alam, Universitas Brawijaya)



Article Info

Publish Date
15 May 2019

Abstract

Indonesia has a huge natural's potential by the existence of various plants and animals discovery. This issue brings a good for Indonesian people through taking advantage of nature, especially in pharmacology. In pharmacology, active compounds can be used to prevent and cure disease. Therefore, a research is conducted in informatics's field by making an active compounds' classification system to determine its pharmacological benefits. SMILES is a chemical compound notation used in this research. SMILES's features which are used as many as 15, namely B, C, N, O, P, S, F, Cl, Br, I, OH, @, =, #, and (). ELM is an ANN method that can do a generalization better than conventional methods in a limited time. A number of hidden neurons test which were conducted using k-fold cross validation method in 2 classes produced the best accuracy, 85,03%, in Metabolism and Inflammation class scenario with a total of 5, 10, and 15 hidden neurons. A number of hidden neurons' test use k-fold cross validation method which were conducted in 3 classes produced the best accuracy, 55,06%, in Metabolism, Inflammation, and Cancer class scenario with a total of 300 hidden neurons. The best accuracy was obtained as many as 55,06% by testing 15 features with 300 hidden neurons, while in 11 features's test with 400 hidden neurons was found a number of 49,18% as the best accuracy.

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Journal Info

Abbrev

j-ptiik

Publisher

Subject

Computer Science & IT Control & Systems Engineering Education Electrical & Electronics Engineering Engineering

Description

Jurnal Pengembangan Teknlogi Informasi dan Ilmu Komputer (J-PTIIK) Universitas Brawijaya merupakan jurnal keilmuan dibidang komputer yang memuat tulisan ilmiah hasil dari penelitian mahasiswa-mahasiswa Fakultas Ilmu Komputer Universitas Brawijaya. Jurnal ini diharapkan dapat mengembangkan penelitian ...