QSAR QSAR model building through machine learning Web-based researcher's interest new drug candidate discovery platform provision system

摘要

The present invention relates to a web-based researcher interest drug candidate derivation platform providing system for constructing a QSAR model through machine learning, and the web-based researcher interest drug candidate substance derivation platform providing system according to the present invention applies the descriptor optimization unit 104. Therefore, it not only has the effect of significantly improving the prediction accuracy, but also has the effect that it can be easily used by general researchers who do not have expertise in artificial intelligence.