FP-GNN: a versatile deep learning architecture for enhanced molecular property prediction

H Cai, H Zhang, D Zhao, J Wu… - Briefings in …, 2022 - academic.oup.com
Accurate prediction of molecular properties, such as physicochemical and bioactive
properties, as well as ADME/T (absorption, distribution, metabolism, excretion and toxicity) …
被引用次数：58 相关文章

FP-GNN: a versatile deep learning architecture for enhanced molecular property prediction

H Cai, H Zhang, D Zhao, J Wu, L Wang - arXiv e-prints, 2022 - ui.adsabs.harvard.edu
Deep learning is an important method for molecular design and exhibits considerable ability
to predict molecular properties, including physicochemical, bioactive, and ADME/T …

FP-GNN: a versatile deep learning architecture for enhanced molecular property prediction

H Cai, H Zhang, D Zhao, J Wu… - Briefings in …, 2022 - pubmed.ncbi.nlm.nih.gov
Accurate prediction of molecular properties, such as physicochemical and bioactive
properties, as well as ADME/T (absorption, distribution, metabolism, excretion and toxicity) …

FP-GNN: a versatile deep learning architecture for enhanced molecular property prediction

H Cai, H Zhang, D Zhao, J Wu, L Wang - arXiv preprint arXiv:2205.03834, 2022 - arxiv.org
Deep learning is an important method for molecular design and exhibits considerable ability
to predict molecular properties, including physicochemical, bioactive, and ADME/T …

FP-GNN: a versatile deep learning architecture for enhanced molecular property prediction

H Cai, H Zhang, D Zhao, J Wu… - Briefings in …, 2022 - academic.oup.com
Accurate prediction of molecular properties, such as physicochemical and bioactive
properties, as well as ADME/T (absorption, distribution, metabolism, excretion and toxicity) …

FP-GNN: a versatile deep learning architecture for enhanced molecular property prediction.

H Cai, H Zhang, D Zhao, J Wu… - Briefings in …, 2022 - search.ebscohost.com
Accurate prediction of molecular properties, such as physicochemical and bioactive
properties, as well as ADME/T (absorption, distribution, metabolism, excretion and toxicity) …

FP-GNN: a versatile deep learning architecture for enhanced molecular property prediction.

H Cai, H Zhang, D Zhao, J Wu, L Wang - Briefings in Bioinformatics, 2022 - europepmc.org
Accurate prediction of molecular properties, such as physicochemical and bioactive
properties, as well as ADME/T (absorption, distribution, metabolism, excretion and toxicity) …