MPSM-DTI: prediction of drug–target interaction <i>via</i> machine learning based on the chemical structure and protein sequence
Yayuan Peng, Jiye Wang, Zengrui Wu, Lulu Zheng, Biting Wang, Guixia Liu, Weihua Li, Yun Tang
Abstract
MPSM-DTI was developed for prediction of DTIs using chemical structures and protein sequences as features. Compared with other methods, MPSM-DTI reached considerable accuracy and addressed the dilemma of DTI prediction for brand new protein targets.
Topics & Concepts
Sequence (biology)Protein structure predictionComputer scienceArtificial intelligenceDrug targetComputational biologyMachine learningProtein structureChemistryBiologyBiochemistryComputational Drug Discovery MethodsProtein Structure and DynamicsMachine Learning in Bioinformatics