BACKGROUND: The motivation for the BioHub project is to create an Integrated Knowledge Management System (IKMS) that will enable chemists to source ingredients from bio-renewables, rather than from non-sustainable sources such as fossil oil and its d...
Liquid droplets are very simple objects present in our everyday life. They are extremely important for many natural phenomena as well as for a broad variety of industrial processes. The conventional research areas in which the droplets are studied in...
Angewandte Chemie (International ed. in English)
29603525
"Chemical synthesis has previously tended to rely heavily on robust labour-intensive processes. We have been advocating a machine-assisted approach to synthesis for many years. To replace a bench chemist with a machine is not only unrealistic but imp...
Chemical genetics is increasingly being employed to decode traits in plants that may be recalcitrant to traditional genetics due to gene redundancy or lethality. However, the probability of a synthetic small molecule being bioactive is low; therefore...
Journal of chemical information and modeling
31549507
We present a machine learning approach to automated force field development in dissipative particle dynamics (DPD). The approach employs Bayesian optimization to parametrize a DPD force field against experimentally determined partition coefficients. ...
Proceedings of the National Academy of Sciences of the United States of America
32680965
To overcome the reversible nature of low-Reynolds-number flow, a variety of biomimetic microrobotic propulsion schemes and devices capable of rapid transport have been developed. However, these approaches have been typically optimized for a specific ...
Neural networks : the official journal of the International Neural Network Society
32673847
In this work, a novel data-driven fault diagnostic framework is developed by using hybrid multi-mode machine learning strategies to monitor system health status. The coexistence of multi-mode and concurrent faults and their adverse coupling effects p...
Annual review of chemical and biomolecular engineering
33710940
Chemical engineering is being rapidly transformed by the tools of data science. On the horizon, artificial intelligence (AI) applications will impact a huge swath of our work, ranging from the discovery and design of new molecules to operations and m...
Food research international (Ottawa, Ont.)
39614513
This state-of-the-art review comprehensively explores flavor development, spanning biological foundations, analytical methodologies, and the socio-cultural impact. It incorporates an industrial perspective and examines the role of artificial intellig...