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• W3037783645 abstract "Abstract Fibrosis is a key component in the pathogenic mechanism of a variety of diseases. These diseases involving fibrosis may share common mechanisms and therapeutic targets, and therefore common intervention strategies and medicines may be applicable for these diseases. For this reason, deliberately introducing anti-fibrosis characteristics into predictive modeling may lead to more success in drug repositioning. In this study, anti-fibrosis knowledge base was first built by collecting data from multiple resources. Both structural and biological profiles were then derived from the knowledge base and used for constructing machine learning models including Structural Profile Prediction Model (SPPM) and Biological Profile Prediction Model (BPPM). Three external public data sets were employed for validation purpose and further exploration of potential repositioning drugs in wider chemical space. The resulting SPPM and BPPM models achieve area under the receiver operating characteristic curve (area under the curve) of 0.879 and 0.972 in the training set, and 0.814 and 0.874 in the testing set. Additionally, our results also demonstrate that substantial amount of multi-targeting natural products possess notable anti-fibrosis characteristics and might serve as encouraging candidates in fibrosis treatment and drug repositioning. To leverage our methodology and findings, we developed repositioning prediction platform, drug repositioning based on anti-fibrosis characteristic that is freely accessible via https://www.biosino.org/drafc." @default.
• W3037783645 created "2020-07-02" @default.
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• W3037783645 date "2020-06-22" @default.
• W3037783645 modified "2023-10-15" @default.
• W3037783645 title "Dr <i>AFC</i>: drug repositioning through anti-fibrosis characteristic" @default.
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• W3037783645 doi "https://doi.org/10.1093/bib/bbaa115" @default.
• W3037783645 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/8138822" @default.
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• W3037783645 hasPublicationYear "2020" @default.
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