In this repository you can find:
- The arXiv version of our full paper
- Slides for the IEEE VIS 2020 video presentation
- A fast-forward teaser video made for IEEE VIS 2020
- The implementation of a prototype version of ChemVA:
- Client web application in D3.js and Node server
- Back-end web services for real-time 3D molecular alignment and 2D projection of new compounds
For further details about implementation and the datasets used in the case studies, please refer to our full paper
If you find ChemVA useful in your research, please consider citing our paper:
@article{sabando2021chemva,
author={M. V. {Sabando} and P. {Ulbrich} and M. {Selzer} and J. {Byška} and J. {Mičan} and I. {Ponzoni} and A. J. {Soto} and M. L. {Ganuza} and B. {Kozlíková}},
journal={IEEE Transactions on Visualization and Computer Graphics},
title={ChemVA: Interactive Visual Analysis of Chemical Compound Similarity in Virtual Screening},
volume={27},
number={2},
pages={891-901},
year={2021},
doi={10.1109/TVCG.2020.3030438}}