Direct Prediction of Physicochemical Properties and Toxicities of Chemicals from Analytical Descriptors by GC

Direct Prediction of Physicochemical Properties and Toxicities of Chemicals from Analytical Descriptors by GC–MS

Published:2022-06-14 Issue:25 Volume:94 Page:9149-9157
ISSN:0003-2700
Container-title:Analytical Chemistry
language:en
Short-container-title:Anal. Chem.

Author:

Zushi Yasuyuki¹²^ORCID

Affiliation:

1. Research Institute of Science for Safety and Sustainability, National Institute of Advanced Industrial Science and Technology, 16-1 Onogawa, Tsukuba, Ibaraki 305-8506, Japan

2. Graduate School of Science and Technology, University of Tsukuba, 1-1-1 Tennodai, Tsukuba, Ibaraki 305-8577, Japan

Funder

Japan Society for the Promotion of Science

Publisher

American Chemical Society (ACS)

Subject

Analytical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.analchem.2c01667

Reference68 articles.

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4. ChEMBL. https://www.ebi.ac.uk/chembl/ (accessed 2022-05-27).

5. The Chemical Space Project

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