Neural networks and fractional order calculus are powerful tools for system identification through which there exists the capability of approximating nonlinear functions owing to the use of nonlinear activation functions and of processing diverse inputs and outputs as well as the automatic adaptation of synaptic elements through a specified learning algorithm. Fractional-order calculus, concerning the differentiation and integration of non-integer orders, is reliant on fractional-order thinking which allows better understanding of complex and dynamic systems, enhancing the processing and control of complex, chaotic and heterogeneous elements. One of the most characteristic features of biological systems is their different levels of complexity. In view of this, chaos theory seems to be one of the most applicable areas of life sciences along with nonlinear dynamic and complex systems of living and non-living environment. Biocomplexity, with multiple scales ranging from molecules to cells and organisms, addresses complex structures and behaviors which emerge from nonlinear interactions of active biological agents. This sort of emergent complexity is concerned with the organization of molecules into cellular machinery by that of cells into tissues as well as that of individuals to communities. Healthy systems sustain complexity in their lifetime and are chaotic, so complexity loss or the chaos loss results in diseases. Within the mathematics-informed frameworks, fractional-order calculus based Artificial Neural Networks (ANNs) can be employed for accurate understanding of complex biological processes. This approach aims at achieving optimized solutions through the maximization of the model’s accuracy and minimization of computational burden and exhaustive methods. Within this framework with highly intricate complex elements, computational complexity becomes prominent. Relying on a transdifferentiable mathematics-informed framework and multifarious integrative methods concerning computational complexity, this study aims at establishing an accurate and robust model based upon integration of fractional-order derivative and ANN for the diagnosis and prediction purposes for cancer cell whose propensity exhibits various transient and dynamic biological properties. The other aim is concerned with showing the significance of computational complexity for obtaining the fractional-order derivative with the least complexity in order that optimized solution could be achieved. The multifarious scheme of the study, by applying fractional-order calculus to optimization methods, the advantageous aspect concerning model accuracy maximization has been demonstrated through the proposed method’s applicability and predictability aspect in various domains manifested by dynamic and nonlinear nature displaying different levels of complexity.