日期 影响因子
日期:
2020 年 — 2026 年
2020
2021
2022
2023
2024
2025
2026
影响因子:
–

Integrating Machine Learning and SHAP Analysis to Advance the Rational Design of Benzothiadiazole Derivatives with Tailored Photophysical Properties

结合机器学习和SHAP分析，推进具有定制光物理性质的苯并噻二唑衍生物的合理设计

期刊:Journal of Chemical Information and Modeling
影响因子:5.3
doi:10.1021/acs.jcim.4c02414
Veríssimo, Rafael F; Matias, Pedro H F; Barbosa, Mateus R; Neto, Flávio O S; Neto, Brenno A D; de Oliveira, Heibbe C B
发表日期：2025
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ThermoPred: AI-Enhanced Quantum Chemistry Data Set and ML Toolkit for Thermochemical Properties of API-Like Compounds and Their Degradants

ThermoPred：用于研究活性药物成分及其降解产物热化学性质的AI增强型量子化学数据集和机器学习工具包

期刊:Journal of Chemical Information and Modeling
影响因子:5.3
doi:10.1021/acs.jcim.5c01320
Santos, Diullio P; Dias-Silva, Jefferson R; Júnior, Luiz H K Q; de Oliveira, Heibbe C B
发表日期：2025
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Harnessing Greenhouse Gases Absorption by Doped Fullerenes with Externally Oriented Electric Field

利用外部定向电场控制掺杂富勒烯对温室气体的吸收

期刊:Molecules
影响因子:4.6
doi:10.3390/molecules27092968
Lemos Silva, Rodrigo A; Scalabrini Machado, Daniel F; Nunes Rodrigues, Núbia Maria; de Oliveira, Heibbe C B; Ribeiro, Luciano; da Silva Filho, Demétrio A
发表日期：2022
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Theoretical study of the interaction of fullerenes with the emerging contaminant carbamazepine for detection in aqueous environments

富勒烯与新兴污染物卡马西平相互作用的理论研究及其在水环境中的检测

期刊:Scientific Reports
影响因子:3.9
doi:10.1038/s41598-022-19258-6
Lemos Silva, Rodrigo A; Scalabrini Machado, Daniel F; de Oliveira, Heibbe C B; Ribeiro, Luciano; da Silva Filho, Demétrio A
发表日期：2022
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