Machine Learning-Assisted Prediction of the Biological Activity of Aromatase Inhibitors and Data Mining to Explore Similar Compounds

ACS Omega 2022, 7, 51, 48139–48149 | 2022

DOI: https://doi.org/10.1021/acsomega.2c06174

Multidimensional modeling assisted mining of GDB17 chemical database: A search for polymer donors for organic solar cells and machine learning assisted performance prediction

International Journal of Quantum Chemistry, 2022 | 2022

DOI: https://doi.org/10.1002/qua.26991