Tapping on the black box: how is the scoring power of a machine-learning scoring function dependent on the training set?

M Su, G Feng, Z Liu, Y Li, R Wang - Journal of chemical …, 2020 - ACS Publications
In recent years, protein–ligand interaction scoring functions derived through machine-
learning are repeatedly reported to outperform conventional scoring functions. However …
被引用次数：63 相关文章

Tapping on the Black Box: How Is the Scoring Power of a Machine-Learning Scoring Function Dependent on the Training Set?

M Su, G Feng, Z Liu, Y Li, R Wang - Journal of Chemical Information …, 2020 - europepmc.org
In recent years, protein-ligand interaction scoring functions derived through machine-
learning are repeatedly reported to outperform conventional scoring functions. However …

Tapping on the Black Box: How Is the Scoring Power of a Machine-Learning Scoring Function Dependent on the Training Set?

M Su, G Feng, Z Liu, Y Li… - Journal of chemical …, 2020 - pubmed.ncbi.nlm.nih.gov
In recent years, protein-ligand interaction scoring functions derived through machine-
learning are repeatedly reported to outperform conventional scoring functions. However …