Cancer is still an epidemiological disease in Indonesia. Drug development against cancer still relies to pharmacological laboratories and natural chemicals, which could have side effects. Cancer drug development has entered the stage of molecular biology, where the interaction of ligand chemical structure with receptor protein can be studied with high accuracy. Various chemical compounds, ranging from synthetic, semi-synthetic, to natural materials, developed for the purpose to fight one of the

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... most dangerous diseases. In the context of the development of herbal-based drugs, there has been found heaps of natural compounds, curated and annotated, in various databases belonging to China, Taiwan, Indonesia, Japan, and several other countries. However, problems arise when choosing the best bioactive compounds to develop against cancer. Complexity arises because the metabolic pathway of cancer is very diverse, depending on the type and phase of cancer. Therefore, in this systematic review, we developed a machine learning approach to screen for these bioactive compounds, then took the best candidates for molecular simulation operations that would be tested for validity in wet experiments. Thus, the automation of the candidate drug development process for cancer could be achieved with great significance. It is known that the most effective and efficient machine learning method was Naïve Bayes, but the best in processing large amounts of compound data was classfier SVM. The future of complex bioactive compounds data could be secured by employing deep learning method.