Deep learning and knowledge-based methods for computer-aided molecular design—toward a unified approach: State-of-the-art and future directions

AS Alshehri, R Gani, F You - Computers & Chemical Engineering, 2020 - Elsevier
The optimal design of compounds through manipulating properties at the molecular level is
often the key to considerable scientific advances and improved process systems …

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

AS Alshehri, R Gani, F You - arXiv preprint arXiv:2005.08968, 2020 - arxiv.org
The optimal design of compounds through manipulating properties at the molecular level is
often the key to considerable scientific advances and improved process systems …

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

AS Alshehri, R Gani, F You - arXiv e-prints, 2020 - ui.adsabs.harvard.edu
The optimal design of compounds through manipulating properties at the molecular level is
often the key to considerable scientific advances and improved process systems …