Interpretable Deep-Learning Unveils Structure–Property Relationships in Polybenzenoid Hydrocarbons-Reference-Cited by-同舟云学术

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Interpretable Deep-Learning Unveils Structure–Property Relationships in Polybenzenoid Hydrocarbons

Published:2023-01-25 Issue:14 Volume:88 Page:9645-9656
ISSN:0022-3263
Container-title:The Journal of Organic Chemistry
language:en
Short-container-title:J. Org. Chem.

Author:

Weiss Tomer¹,Wahab Alexandra²^ORCID,Bronstein Alex M.¹,Gershoni-Poranne Renana³^ORCID

Affiliation:

1. Department of Computer Science, Technion - Israel Institute of Technology, Haifa32000, Israel

2. Laboratory for Organic Chemistry, Department of Chemistry and Applied Biosciences, ETH Zurich, Zurich8093, Switzerland

3. Schulich Faculty of Chemistry, Technion - Israel Institute of Technology, Haifa32000, Israel

Funder

H2020 European Research Council

Branco Weiss Fellowship - Society in Science

Publisher

American Chemical Society (ACS)

Subject

Organic Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.joc.2c02381

Reference64 articles.

1. The Chemistry of Interstellar Space

2. Spitzer’s perspective of polycyclic aromatic hydrocarbons in galaxies

3. Carcinogenicity of polycyclic aromatic hydrocarbons

4. A review of airborne polycyclic aromatic hydrocarbons (PAHs) and their human health effects

5. A comprehensive review of metabolic and genomic aspects of PAH-degradation

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1. Hetero-polycyclic aromatic systems: A data-driven investigation of structure–property relationships;Beilstein Journal of Organic Chemistry;2024-07-31

2. Effect of Benzo‐Annelation on Triplet State Energies in Polycyclic Conjugated Hydrocarbons;Chemistry – A European Journal;2024-04-08

3. COMPAS-2: a dataset of cata-condensed hetero-polycyclic aromatic systems;Scientific Data;2024-01-19

4. COMPAS-3: a dataset of peri-condensed polybenzenoid hydrocarbons;Physical Chemistry Chemical Physics;2024

5. Crafting molecular architectures with guided diffusion;Nature Computational Science;2023-10-11

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