Ecosyste.ms: Papers

An open API service providing mapping between scientific papers and software projects that are mentioned in them.
All mentions data is based on the CZI Software Mentions dataset.

Papers: 10.1186/s13321-020-00479-8

https://doi.org/10.1186/s13321-020-00479-8

Could graph neural networks learn better molecular representation for drug discovery? A comparison study of descriptor-based and graph-based models

Cited by: 178
Author(s): Dejun Jiang, Zhenxing Wu, Chang‐Yu Hsieh, Guangyong Chen, Ben Liao, Zhe Wang, Chao Shen, Dong‐Sheng Cao, Jian Wu, Tingjun Hou
Published: over 3 years ago

Software Mentions 3

pypi: hyperopt
Distributed Asynchronous Hyperparameter Optimization
Papers that mentioned: 34
pypi: scikit-learn
A set of python modules for machine learning and data mining
Papers that mentioned: 2,431
pypi: shap
A unified approach to explain the output of any machine learning model.
Papers that mentioned: 13