The discovery and development of catalysts and catalytic processes are essential components to maintaining an ecological balance in the future. Recent revolutions made in …
HJ Kulik, MS Sigman - Accounts of Chemical Research, 2021 - ACS Publications
Scientists have long benefitted from and contributed to the development of quantitative methods to reveal patterns in structure− property relationships across all branches of …
The recent synergy of machine learning (ML) with molecular synthesis has emerged as an increasingly powerful platform in organic synthesis and catalysis. This merger has set the …
S Shilpa, G Kashyap, RB Sunoj - The Journal of Physical …, 2023 - ACS Publications
Burgeoning developments in machine learning (ML) and its rapidly growing adaptations in chemistry are noteworthy. Motivated by the successful deployments of ML in the realm of …
Minimizing the time and material investments in discovering molecular catalysis would be immensely beneficial. Given the high contemporary importance of homogeneous catalysis in …
Conspectus Numerous disciplines, such as image recognition and language translation, have been revolutionized by using machine learning (ML) to leverage big data. In organic …
YF Shi, ZX Yang, S Ma, PL Kang, C Shang, P Hu… - Engineering, 2023 - Elsevier
The past decade has seen a sharp increase in machine learning (ML) applications in scientific research. This review introduces the basic constituents of ML, including databases …
The benefits of using machine learning approaches in the design, optimisation and understanding of homogeneous catalytic processes are being increasingly realised. We …
A mechanistic understanding of catalytic organic reactions is crucial for the design of new catalysts, modes of reactivity and the development of greener and more sustainable …