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MOLECULAR FINGERPRINT AND DEEP LEARNING BASED VIRTUAL HIGH-THROUGHPUT DRUG SCREENING SYSTEM
MOLECULAR FINGERPRINT AND DEEP LEARNING BASED VIRTUAL HIGH-THROUGHPUT DRUG SCREENING SYSTEM
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机译:基于分子指纹和深度学习的虚拟高通量药物筛选系统
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摘要
A molecular fingerprint and deep learning based virtual high-throughput drug screening system, comprising an online deep learning model modeling sub-system and an online virtual screening sub-system. Combining molecular fingerprints and deep neural network methods, establishing a virtual high-throughput drug screening system, said system having screening databases of different structures embedded inside, and implementing online automatic establishment of deep learning modeling and virtual screening. The system operates smoothly, is easy to use, and can help people working in the fields of medicine and chemistry on drug discovery quickly screen for targets and obtain potential active compounds, thereby accelerating drug discovery.
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