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The mechanical properties of concrete are the important parameters in a design code. The amount of laboratory trial batches and experiments required to produce useful design data can be decreased by using robust prediction models for the mechanical properties of concrete, which can save time and money. Portland cement is frequently substituted with metakaolin (MK) because of its technical and environmental advantages. In this study, three mechanical properties of concrete with MK, i.e., compressive strength ( f ′ c ), splitting tensile strength ( f st ), and flexural strength (FS) were modelled by using four machine learning (ML) techniques: gene expression programming (GEP), artificial neural network (ANN), M5P model tree algorithm, and random forest (RF). For this purpose, a comprehensive database containing detail of concrete mixture proportions and values of f ′ c , f st , and FS at different ages was gathered from peer-reviewed published documents. Various statistical metrics were used to compare the predictive and generalization capability of the ML techniques. The comparative study of ML techniques revealed that RF has better predictive and generalization capability as compared with GEP, ANN, and M5P model tree algorithm. Moreover, the sensitivity and parametric analysis (PA) was carried out. The PA showed that the most suitable proportions of MK as partial cement replacement were 10% for FS and 15% for both f ′ c and f st . [ABSTRACT FROM AUTHOR]