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Classification of HDAC8 Inhibitors and Non-Inhibitors Using Support Vector Machines
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  • Classification of HDAC8 Inhibitors and Non-Inhibitors Using Support Vector Machines
  • Classification of HDAC8 Inhibitors and Non-Inhibitors Using Support Vector Machines
저자명
Cao. Guang Ping,Thangapandian. Sundarapandian,John. Shalini,Lee. Keun-Woo
간행물명
Interdisciplinary Bio Central
권/호정보
2012년|4권 1호|pp.2-3 (2 pages)
발행정보
한국생물정보시스템생물학회
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정기간행물|ENG|
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이 논문은 한국과학기술정보연구원과 논문 연계를 통해 무료로 제공되는 원문입니다.
서지반출

기타언어초록

Introduction: Histone deacetylases (HDAC) are a class of enzymes that remove acetyl groups from ${varepsilon}$-N-acetyl lysine amino acids of histone proteins. Their action is opposite to that of histone acetyltransferase that adds acetyl groups to these lysines. Only few HDAC inhibitors are approved and used as anti-cancer therapeutics. Thus, discovery of new and potential HDAC inhibitors are necessary in the effective treatment of cancer. Materials and Methods: This study proposed a method using support vector machine (SVM) to classify HDAC8 inhibitors and non-inhibitors in early-phase virtual compound filtering and screening. The 100 experimentally known HDAC8 inhibitors including 52 inhibitors and 48 non-inhibitors were used in this study. A set of molecular descriptors was calculated for all compounds in the dataset using ADRIANA. Code of Molecular Networks. Different kernel functions available from SVM Tools of free support vector machine software and training and test sets of varying size were used in model generation and validation. Results and Conclusion: The best model obtained using kernel functions has shown 75% of accuracy on test set prediction. The other models have also displayed good prediction over the test set compounds. The results of this study can be used as simple and effective filters in the drug discovery process.