most citedDeep Learning and Knowledge-Based Methods for Computer Aided Molecular Design -- Toward a Unified Approach: State-of-the-Art and Future Directions

117 citations · 121 across the 2 of their papers we have counts for

collaborators

2 papers

physics.chem-ph2025★ 4 cited

Predicting performance-related properties of refrigerant based on tailored small-molecule functional group contribution

Peilin Cao, Ying Geng, Nan Feng +4

As current group contribution (GC) methods are mostly proposed for a wide size-range of molecules, applying them to property prediction of small refrigerant molecules could lead to…

q-bio.BM2020★ 117 cited

Deep Learning and Knowledge-Based Methods for Computer Aided Molecular Design -- Toward a Unified Approach: State-of-the-Art and Future Directions

Abdulelah S. Alshehri, Rafiqul Gani, Fengqi You

The optimal design of compounds through manipulating properties at the molecular level is often the key to considerable scientific advances and improved process systems performance…