CDI’s expertise is in developing algorithms that efficiently explore chemical data. This expertise was developed over several PhD projects and research contracts at the University of Cambridge and the Cambridge Centre for Advanced Research and Education in Singapore (CARES Ltd).
Some relevant literature from the group of Prof. Alexei Lapkin is listed below.
- P.-M. Jacob, P. Yamin, C. Perez-Storey, M. Hopgood, A. Lapkin, Towards automation of chemical process route selection based on data mining, Green Chem., 19 (2017) 140-152. DOI: 10.1039/C6GC02482C
- A. Lapkin, P.K. Heer, P.-M. Jacob, M. Hutchby, W. Cunningham, S.D. Bull, M.G. Davidson. Automation of route identification and optimisation based on datamining and chemical intuition, Faraday Discussions. 202 (2017) 483-496, DOI: 10.1039/C7FD00073A
- P.-M. Jacob, A. Lapkin, Statistics of the network of organic chemistry, React. Chem. Engng. 3 (2018) 102-118. DOI: 10.1039/c7re00129k
- J.M. Weber, P. Lio, A. Lapkin, Identification of strategic molecules for future circular supply chains using large reaction networks, React. Chem. Eng., 4 (2019) 1969-1981, DOI: 10.1039/c9re00213h
- J.M. Weber, P. Lio, A. Lapkin, Identification of strategic molecules for future circular supply chains using large reaction networks, React. Chem. Eng., 4 (2019) 1969-1981, DOI: 10.1039/c9re00213h
- Z. Guo, N. Yan, A. Lapkin, Towards circular economy: integration of bio-waste into chemical supply chain, Curr. Opinion Chem. Eng. 26 (2019) 148-156. DOI: 10.1016/j.coche.2019.09.010
- J. M. Weber, Z. Guo, C. Zhang, A. M. Schweidtmann and A. A. Lapkin, Chemical data intelligence for sustainable chemistry, Chem. Soc. Rev. (2021), DOI: 10.1039/D1CS00477H.
- J.M. Weber, Z. Guo, A.A. Lapkin, Discovering circular process solutions through automated reaction network optimisation, ACS Engineering Au, 2 (2022) 333-349. DOI: 10.1021/acsengineeringau.2c00002
- A. Arun, Z. Guo, S. Sung, A.A. Lapkin, Reaction impurity prediction using a datamining approach, Chemistry-Methods, (2023) e202200062, DOI: 10.1002/cmtd.202200062
- D.S. Wigh, J. Arrowsmith, A. Pomberger, K.C. Felton, A.A. Lapkin, ORDerly: data sets and benchmarks for chemical reaction data, J. Chem. Inf. Model., (2024). DOI: 10.1021/acs.jcim.4c00292
- C. Zhang, A. Arun, A.A. Lapkin, Completing and balancing database excerpted chemical reactions with a hybrid mechanistic-machine learning approach, ACS Omega 9 (2024) 18385-18399. DOI: 10.1021/acsomega.4c00262