Jurnal Pengembangan Teknologi Informasi dan Ilmu Komputer
Vol 3 No 8 (2019): Agustus 2019

Klasifikasi Fungsi Senyawa Aktif berdasarkan Data Simplified Molecular Input Line Entry System (SMILES) menggunakan Metode Support Vector Machine (SVM)

Dwi Febry Indarwati (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 Aug 2019

Abstract

Chemical compounds can be distinguished into active compounds or commonly called bioactive compounds and inactive compounds or commonly called passive compounds. At this time there are still many active compunds that the pharmacological role does not known yet, so the system being made for classify the functions of active compounds that expected to support chemists research in the laboratory. To simplify the process of making the system, the representation of molecular structure must be easily processed by a computer so that the SMILES notation will be used, the SMILES notation describes chemical formula in a row notation. This system is using the SVM (Support Vector Machine) method because the SVM method has high generalization capabilities without requiring additional datasets. In this research uses as many as 15 features and objects as many as 3 classes of active compound functions, including metabolism, infection, and anti-inflammation. The best test result is 83.33% when using the Gaussian kernel RBF, using a lambda value (λ) of 5, the complexity value is 0.1, the sigma value (σ) is 0.5, and with the number of iterations is 5.

Copyrights © 2019






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 ...