DOPtools: a Python platform for descriptor calculation and model optimization
The DOPtools (Descriptors and Optimization tools) platform is a Python library for the calculation of chemical descriptors, hyperparameter optimization, and building and validation of QSPR models.
Authors
- Philippe Gantzer (ORCID: https://orcid.org/0000-0001-7494-458X)
- Said Byadi (ORCID: https://orcid.org/0000-0003-0913-2897)
- Timur Gimadiev (ORCID: https://orcid.org/0000-0001-5012-0308)
- Pavel Sidorov (ORCID: https://orcid.org/0000-0001-6462-702X)
Institutions
- Hokkaido University (JP)
- Kazan Federal University (RU)
Publication Details
- Journal
- Digital Discovery
- Published
- 2025-01-01
- DOI
- https://doi.org/10.1039/d4dd00399c
- Citations
- 2
- Primary Topic
- Computational Physics and Python Applications
- Type
- article
- Field-Weighted Citation Impact
- 4.96
Funders
- Ministry of Education, Culture, Sports, Science and Technology
- Hokkaido University
- Japan Society for the Promotion of Science