molecular fingerprint

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1
Molecular fingerprint-derived similarity measures for toxicological read-across: Recommendations for optimal use.
Mellor, C L;Marchese Robinson, R L;Benigni, R;Ebbrell, D;Enoch, S J;Firman, J W;Madden, J C;Pawar, G...
2019 regulatory toxicology and pharmacology : rtp DOI: S0273-2300(18)30294-... 285 views
2
A generalized predictive model for TiO-Catalyzed photo-degradation rate constants of water contaminants through artificial neural network.
Jiang, Zhuoying;Hu, Jiajie;Zhang, Xijin;Zhao, Yihang;Fan, Xudong;Zhong, Shifa;Zhang, Huichun;Yu, Xio...
2020 Environmental research DOI: S0013-9351(20)30590-... 193 views

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regulatory toxicology and pharmacology : rtp
ISSN: 1096-0295 637 views
Environmental research
ISSN: 1096-0953 697 views

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toxicity in silico molecular similarity read-across regulatory acceptance tanimoto coefficient Machine learning artificial neural network titanium dioxide photo-degradation of water contaminants reaction rate constant