A Systematic Prediction of Drug-Target Interactions Using Molecular Fingerprints and Protein Sequences

• Published in: Current protein & peptide science Vol. 19; no. 5; p. 468
• Main Authors: Huang, Yu-An, You, Zhu-Hong, Chen, Xing
• Format: Journal Article
• Language: English
• Published: United Arab Emirates 01.05.2018
• Subjects: Computer Simulation; Databases, Protein; Datasets as Topic; Drug Discovery; Models, Molecular; Molecular Structure; Pharmaceutical Preparations - chemistry; Protein Binding; Proteins - chemistry; Structure-Activity Relationship; computational model; extremely randomized trees; drug substructure fingerprint; pseudo substitution matrix representation; Drug-target interactions

Drug-Target Interactions (DTI) play a crucial role in discovering new drug candidates and finding new proteins to target for drug development. Although the number of detected DTI obtained by high-throughput techniques has been increasing, the number of known DTI is still limited. On the other hand,...