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Abnormal DHEA production can lead to the progression of serious diseases, such as for example prostatic and breast cancers. Therefore, CYP17A1 is a druggable target for anti-cancer molecule development. In this research, cheminformatic analyses and quantitative structure-activity relationship (QSAR) modeling were put on a collection of 962 CYP17A1 inhibitors (i.e., consisting of 279 steroidal and 683 nonsteroidal inhibitors) created through the Ch
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