Nomenclature dt0015 A Helmholtz free energy dt0020 Ak Matrix of number of occurrences of molecular groups in molecule k dt0025 ACO Ant colony optimization dt0030 ADI Absorption …
J Zhang, Q Wang, Y Lei, W Shen - Green Chemistry, 2024 - pubs.rsc.org
The interpretability and accuracy of deep-learning-based predictive models play a pivotal role in accelerating computer-aided green product design considering environmental …
Early assessment of the potential impact of chemicals on health and the environment requires toxicological properties of the molecules. Predictive modeling is often used to …
The aspects of safety and occupational health have been included as part of the design criteria in many process and molecular design problems. However, the main design …
Due to the increasing public and media concerns over environmental and safety issues, many computer-aided molecular design (CAMD) works aimed to design safer chemicals that …