Development of a Data-Driven Chemistry Framework to Improve the Efficiency of Environmentally Friendly Material Synthesis

Nabila Hakim; Rudi Ramadhan; Fitri Fauzi

Authors

Nabila Hakim Universitas Indonesia Author
Rudi Ramadhan Universitas Indonesia Author
Fitri Fauzi Institut Teknologi Bandung Author

Keywords:

Data-driven chemistry, Environmentally friendly Synthesis, Green chemistry, Material synthesis

Abstract

This study aims to develop a data-driven chemistry framework to improve the efficiency of environmentally friendly material synthesis. The study responds to the problem of fragmented experimental records, repeated trial-and-error practices, and limited integration between synthesis data, green chemistry principles, and laboratory decision-making. A qualitative instrumental case study design was used to explore how researchers generate, document, interpret, and apply experimental data in material synthesis. Data were collected through semi-structured interviews, limited participant observation, and document analysis involving lecturers, material researchers, postgraduate students, laboratory analysts, instrument operators, and data-oriented researchers selected through purposive and snowball sampling. Thematic analysis identified five main themes: fragmented experimental data, tacit decision-making in synthesis design, practical meanings of green efficiency, cautious trust in data-driven recommendations, and the need for an adaptive laboratory framework. The findings show that data-driven chemistry can support greener synthesis when laboratory data are standardized, failed experiments are documented, characterization results are linked to synthesis parameters, and researcher interpretation remains central to decision-making. This study contributes theoretically by framing data-driven chemistry as a sociotechnical practice that connects human expertise, laboratory culture, data systems, and sustainability values. Practically, the proposed framework can help laboratories reduce unnecessary experiments, improve documentation quality, and strengthen environmentally responsible material synthesis. Future research should test the framework across different material systems and integrate qualitative findings with measurable environmental performance indicators.

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