A copy of this work was available on the public web and has been preserved in the Wayback Machine. The capture dates from 2022; you can also visit the original URL.
The file type is application/pdf
.
Application of random forest based on semi-automatic parameter adjustment for optimization of anti-breast cancer drugs
2022
Frontiers in Oncology
The optimization of drug properties in the process of cancer drug development is very important to save research and development time and cost. In order to make the anti-breast cancer drug candidates with good biological activity, this paper collected 1974 compounds, firstly, the top 20 molecular descriptors that have the most influence on biological activity were screened by using XGBoost-based data feature selection; secondly, on this basis, take pIC50 values as feature data and use a variety
doi:10.3389/fonc.2022.956705
pmid:35936743
pmcid:PMC9353770
fatcat:dqk2jjx2n5bpzcvm46e2zrrvm4