Defining a Chemical Space of π-Conjugated Hydrocarbons by Unit-Based Construction
. The molecule generator is expected to provide a systematic foundation for the design and discovery of functional π-conjugated molecules.
Authors
- Shohei Saito (ORCID: https://orcid.org/0000-0003-1863-9956)
- Masato Sumita (ORCID: https://orcid.org/0000-0002-3506-1028)
- Kei Terayama
- K. SUGA (ORCID: https://orcid.org/0000-0003-3893-2172)
- Hayato Takahashi
Institutions
- Kyoto University (JP)
- Shanghai Institute for Science of Science (CN)
- RIKEN Center for Advanced Intelligence Project (JP)
- Institute of Science Tokyo (JP)
- Graduate School USA (US)
- Yokohama City University (JP)
Publication Details
- Journal
- Journal of Chemical Information and Modeling
- Published
- 2026-04-17
- DOI
- https://doi.org/10.1021/acs.jcim.6c00213
- Primary Topic
- Synthesis and Properties of Aromatic Compounds
- Type
- article
- Field-Weighted Citation Impact
- 0.00
Funders
- Daiichi-Sankyo
- Japan Society for the Promotion of Science
- Japan Science and Technology Agency