Chemical representation learning for toxicity prediction

J Born, G Markert, N Janakarajan, TB Kimber… - Digital …, 2023 - pubs.rsc.org
Undesired toxicity is a major hindrance to drug discovery and largely responsible for high
attrition rates in early stages. This calls for new, reliable, and interpretable molecular …

Quinoline Derivatives in Discovery and Development of Pesticides

Q Cai, H Song, Y Zhang, Z Zhu, J Zhang… - Journal of Agricultural …, 2024 - ACS Publications
Finding highly active molecular scaffold structures is always the key research content of new
pesticide discovery. In the research and development of new pesticides, the discovery of …

1, 2, 4-Oxadiazole as a potential scaffold in agrochemistry: a review

Z Ju, C Wu, M Li, J Wu, Y Chen, CX Tan - Organic & Biomolecular …, 2023 - pubs.rsc.org
N, O-Containing heterocycles are incorporated in various approved pesticides and pesticide
candidates. The persistent challenge in modern crop protection is the continuous pursuit of …

Continuous operation of nano-catalytic ozonation using membrane separation coupling system: influence factors and mechanism

Q Yang, J Wei, Y Chen, Z Xu, D Ma, M Zheng, J Li - Chemosphere, 2024 - Elsevier
The application of nano-catalysts in improving the ozonation removal efficiency for refractory
organic compounds has been extensively investigated. However, cost-effective nano …

Study of nitrogen heterocycles as DNA/HSA binder, topoisomerase inhibitors and toxicological safety

JC Dos Santos, JEF Alves, RDS de Azevedo… - International Journal of …, 2024 - Elsevier
Four new nitrogen-containing heterocyclic derivatives (acridine, quinoline, indole, pyridine)
were synthesized and their biological properties were evaluated. The compounds showed …

Discovery of new N-Phenylamide Isoxazoline derivatives with high insecticidal activity and reduced honeybee toxicity

YC Gao, X Song, T Jia, C Zhao, G Yao, H Xu - Pesticide Biochemistry and …, 2024 - Elsevier
Isoxazoline is a novel structure with strong potential for controlling agricultural insect pests,
but its high toxicity to honeybees limits its development in agriculture. Herein, a series of N …

[HTML][HTML] Quinoline: A versatile bioactive scaffold and its molecular hybridization

IA Bala, OF Al Sharif, AM Asiri, RM El-Shishtawy - Results in Chemistry, 2024 - Elsevier
Quinolines have become essential to many drugs, including broad-spectrum antibiotics,
antivirus, antitubercular, and antimalarial agents. Owing to their importance in medicinal and …