The article examines the impact of digital transformation on crystal chemistry – ​a discipline originally based on data processing. It traces the evolution of crystal chemistry from solving the inverse problem of interpreting experimental data to explain structure and properties to solving the direct problem of engineering materials with desired properties. The main focus is on analyzing current trends and challenges in the digitalization of two key components of crystal chemistry: the methodological part (obtaining structural data) and the descriptive part (interpreting data). It is shown that the future of crystal chemistry and related fields depends on solving the problem of data reliability and verifiability, as well as on a conscious ethical approach to the application of artificial intelligence and statistical methods. The article highlights the risk of devaluation of fundamental knowledge and expertise against the backdrop of a growing number of publications based on low-quality data or superficial analysis. The article serves as a critical review of the current state and challenges facing crystal chemistry in the era of science“s digital transformation.
https://doi.org/10.22184/2227-572X.2026.16.1.34.54