Scaffold-Based Analytics: Enabling Hit-to-Lead Decisions by Visualizing Chemical Series Linked across Large Datasets

Deepak Bandyopadhyay, Constantine Kreatsoulas, Pat G. Brady, Joseph Boyer, Zangdong He, Genaro Scavello, Tyler Peryea, Ajit Jadhav, Dac-Trung Nguyen, Rajarshi Guha. Scaffold-Based Analytics: Enabling Hit-to-Lead Decisions by Visualizing Chemical Series Linked across Large Datasets. Journal of Chemical Information and Computer Sciences, 59(11):4880-4892, 2019. [doi]

@article{BandyopadhyayKB19,
  title = {Scaffold-Based Analytics: Enabling Hit-to-Lead Decisions by Visualizing Chemical Series Linked across Large Datasets},
  author = {Deepak Bandyopadhyay and Constantine Kreatsoulas and Pat G. Brady and Joseph Boyer and Zangdong He and Genaro Scavello and Tyler Peryea and Ajit Jadhav and Dac-Trung Nguyen and Rajarshi Guha},
  year = {2019},
  doi = {10.1021/acs.jcim.9b00243},
  url = {https://doi.org/10.1021/acs.jcim.9b00243},
  researchr = {https://researchr.org/publication/BandyopadhyayKB19},
  cites = {0},
  citedby = {0},
  journal = {Journal of Chemical Information and Computer Sciences},
  volume = {59},
  number = {11},
  pages = {4880-4892},
}