3DSTarPred: A Web Server for Target Prediction of Bioactive Small Molecules Based on 3D Shape Similarity

Target identification plays a critical role in preclinical drug development. The <i>in silico</i> approach has been developed and widely applied to assist medicinal chemists and pharmacologists in drug target identification. There are many target prediction web servers available today th...

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Bibliographic Details
Main Author:	Caiqin Yan (19979521) (author)
Other Authors:	Zhihong Liu (112690) (author), Yiming Bai (3839470) (author), Zhe Wang (41178) (author), Jiansong Fang (1684048) (author), Ailin Liu (758014) (author)
Published:	2024
Subjects:	Biophysics Biochemistry Molecular Biology Pharmacology Biotechnology Biological Sciences not elsewhere classified Chemical Sciences not elsewhere classified Information Systems not elsewhere classified natural lead compound benchmark study showed assist medicinal chemists preclinical drug development drug target identification based target prediction two small molecules http :// 3dstarpred target prediction small molecules drug repurposing widely applied web server silico </ shape similarity present 3dstarpred practical applications potential targets freely available diverse substructures critical role case studies alzheimer ’ also better 3dstarpred server 3dstarpred achieved 27 %,
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3DSTarPred: A Web Server for Target Prediction of Bioactive Small Molecules Based on 3D Shape Similarity

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