Small-molecule conformer generators: evaluation of traditional methods and ai models on high-quality data sets
Z Wang, H Zhong, J Zhang, P Pan… - Journal of Chemical …, 2023 - ACS Publications
Small-molecule conformer generation (SMCG) is an extremely important task in both ligand-
and structure-based computer-aided drug design, especially during the hit discovery phase …
and structure-based computer-aided drug design, especially during the hit discovery phase …
Small-Molecule Conformer Generators: Evaluation of Traditional Methods and AI Models on High-Quality Data Sets.
Z Wang, H Zhong, J Zhang, P Pan, D Wang… - Journal of Chemical …, 2023 - europepmc.org
Small-molecule conformer generation (SMCG) is an extremely important task in both ligand-
and structure-based computer-aided drug design, especially during the hit discovery phase …
and structure-based computer-aided drug design, especially during the hit discovery phase …
Small-Molecule Conformer Generators: Evaluation of Traditional Methods and AI Models on High-Quality Data Sets
Z Wang, H Zhong, J Zhang, P Pan… - Journal of …, 2023 - pubmed.ncbi.nlm.nih.gov
Small-molecule conformer generation (SMCG) is an extremely important task in both ligand-
and structure-based computer-aided drug design, especially during the hit discovery phase …
and structure-based computer-aided drug design, especially during the hit discovery phase …