المؤلفون: Esther Heid, Kevin P. Greenman, Yunsie Chung, Shih-Cheng Li, David E. Graff, Florence H. Vermeire, Haoyang Wu, William H. Green, Charles J. McGill

مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Astronomical and Space Sciences not elsewhere classified, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, transfer learning workflows, passing neural networks, octanol partition coefficients, improved hyperparameter optimization, frequently employed tool, calibration methods along, atomic partial charges, versatile software solutions, reaction barrier heights, property prediction tasks, machine learning package, learned molecular properties, new chemprop functionalities, new reaction, molecular properties, multimolecule properties, thus creating, source software, related metrics, problem settings, offers simple, observe state, mpnn models

Relation: https://figshare.com/articles/journal_contribution/Chemprop_A_Machine_Learning_Package_for_Chemical_Property_Prediction/24905344

الاتاحة: https://doi.org/10.1021/acs.jcim.3c01250.s001
https://figshare.com/articles/journal_contribution/Chemprop_A_Machine_Learning_Package_for_Chemical_Property_Prediction/24905344