Synlett

Category: Machine Learning and Artificial Intelligence in Chemical Synthesis and Catalysis

Back to Category List

Issue 18/2021

  • Zankov, D.; Polishchuk, P.; Madzhidov, T.; Varnek, A.:

    Multi-Instance Learning Approach to Predictive Modeling of Catalysts Enantioselectivity

    Image for article: Multi-Instance Learning Approach to Predictive Modeling of Catalysts Enantioselectivity
  • Xu, Li-Cheng; Li, Xin; Tang, Miao-Jiong; Yuan, Luo-Tian; Zheng, Jia-Yu; Zhang, Shuo-Qing; Hong, Xin:

    A Molecular Stereostructure Descriptor Based On Spherical Projection

    Image for article: A Molecular Stereostructure Descriptor Based On Spherical Projection
  • Yada, Akira; Matsumura, Tarojiro; Ando, Yasunobu; Nagata, Kenji; Ichinoseki, Sakina; Sato, Kazuhiko:

    Ensemble Learning Approach with LASSO for Predicting Catalytic Reaction Rates

    Image for article: Ensemble Learning Approach with LASSO for Predicting Catalytic Reaction Rates