Molecular Screening and Toxicity Estimation of 260,000 Perfluoroalkyl and Polyfluoroalkyl Substances (PFASs) through Machine Learning-Reference-Cited by-同舟云学术

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Molecular Screening and Toxicity Estimation of 260,000 Perfluoroalkyl and Polyfluoroalkyl Substances (PFASs) through Machine Learning

Published:2022-09-26 Issue:19 Volume:62 Page:4569-4578
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Lai Thanh T.¹,Kuntz David¹,Wilson Angela K.¹^ORCID

Affiliation:

1. Department of Chemistry, Michigan State University, East Lansing, Michigan 48823, United States

Funder

National Science Foundation

Strategic Environmental Research and Development

Great Lakes Fisheries Trust

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.2c00374

Reference91 articles.

1. The high persistence of PFAS is sufficient for their management as a chemical class

2. Scientific Basis for Managing PFAS as a Chemical Class

3. Selected physicochemical aspects of poly- and perfluoroalkylated substances relevant to performance, environment and sustainability—Part one

4. An overview of the uses of per- and polyfluoroalkyl substances (PFAS)

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1. Molecular designing of potential environmentally friendly PFAS based on deep learning and generative models;Science of The Total Environment;2024-11

2. Advancing toxicity studies of per- and poly-fluoroalkyl substances (pfass) through machine learning: Models, mechanisms, and future directions;Science of The Total Environment;2024-10

3. Unveiling the unexpected sinking and embedding dynamics of surface supported Mo/S clusters on 2D MoS₂ with active machine learning;Smart Molecules;2024-08-08

4. Construction of an explanatory model for predicting hepatotoxicity: a case study of the potentially hepatotoxic components of Gardenia jasminoides;Drug and Chemical Toxicology;2024-06-28

5. Insights into PFAS environmental fate through computational chemistry: A review;Science of The Total Environment;2024-05

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