The following MSDE articles are in the top ten most read from October – December 2018.
Why not take a look and blog your thoughts and comments below.
Deep learning for chemical reaction prediction
David Fooshee, Aaron Mood, Eugene Gutman, Mohammadamin Tavakoli, Gregor Urban, Frances Liu, Nancy Huynh, David Van Vranken and Pierre Baldi
Mol. Syst. Des. Eng., 2018,3, 442-452
DOI: 10.1039/C7ME00107J
Enabling precision manufacturing of active pharmaceutical ingredients: workflow for seeded cooling continuous crystallisations
Cameron J. Brown, Thomas McGlone, Stephanie Yerdelen, Vijay Srirambhatla, Fraser Mabbott, Rajesh Gurung, Maria L. Briuglia, Bilal Ahmed, Hector Polyzois, John McGinty, Francesca Perciballi, Dimitris Fysikopoulos, Pól MacFhionnghaile, Humera Siddique, Vishal Raval, Tomás S. Harrington, Antony D. Vassileiou, Murray Robertson, Elke Prasad, Andrea Johnston, Blair Johnston, Alison Nordon, Jagjit S. Srai, Gavin Halbert, Joop H. ter Horst, Chris J. Price, Chris D. Rielly, Jan Sefcik and Alastair J. Florence
Mol. Syst. Des. Eng., 2018,3, 518-549
DOI: 10.1039/C7ME00096K
Can machine learning identify the next high-temperature superconductor? Examining extrapolation performance for materials discovery
Bryce Meredig, Erin Antono, Carena Church, Maxwell Hutchinson, Julia Ling, Sean Paradiso, Ben Blaiszik, Ian Foster, Brenna Gibbons, Jason Hattrick-Simpers, Apurva Mehta and Logan Ward
Mol. Syst. Des. Eng., 2018,3, 819-825
DOI: 10.2C1039/C8ME0001
Perovskite based optoelectronics: molecular design perspectives – a themed collection
Nakita K. Noel and Henry J. Snaith
Mol. Syst. Des. Eng., 2018,3, 700-701
DOI: 10.1039/C8ME90021C
A solution-processable dissymmetric porous organic cage
A. G. Slater, M. A. Little, M. E. Briggs, K. E. Jelfs and A. I. Cooper
Mol. Syst. Des. Eng., 2018,3, 223-227
DOI: 10.1039/C7ME00090A
Thermodynamic and first-principles biomolecular simulations applied to synthetic biology: promoter and aptamer designs
Kristin V. Presnell and Hal S. Alper
Mol. Syst. Des. Eng., 2018,3, 19-37
DOI: 10.1039/C7ME00083A
Molecular engineering of perovskite photodetectors: recent advances in materials and devices
Fang Yao, Pengbin Gui, Qi Zhang and Qianqian Lin
Mol. Syst. Des. Eng., 2018,3, 702-716
DOI: 10.1039/C8ME00022K
Catalytic single-chain polymeric nanoparticles at work: from ensemble towards single-particle kinetics
Yiliu Liu, Petri Turunen, Bas F. M. de Waal, Kerstin G. Blank, Alan E. Rowan, Anja R. A. Palmans and E. W. Meijer
Mol. Syst. Des. Eng., 2018,3, 609-618
DOI: 10.1039/C8ME00017D
Cooperative effects of inorganic and organic structure-directing agents in ZSM-5 crystallization
Aseem Chawla, Rui Li, Rishabh Jain, R. John Clark, James G. Sutjianto, Jeremy C. Palmer and Jeffrey D. Rimer
Mol. Syst. Des. Eng., 2018,3, 159-170
DOI: 10.1039/C7ME00097A
Machine learning and data science in materials design: a themed collection
Andrew Ferguson and Johannes Hachmann
Mol. Syst. Des. Eng., 2018,3, 429-430
DOI: 10.1039/C8ME90007H
