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Analytical Chemistry

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Theoretical and Computational Chemistry

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Molecular descriptor

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4 results in Keywords: Molecular descriptor

Theoretical and Computational Chemistry

Neuraldecipher - Reverse-Engineering ECFP Fingerprints to Their Molecular Structures

Tuan Le, Robin Winter, Frank Noé, Djork-Arné Clevert

Version 2 posted 18 May 2020

1,158

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Theoretical and Computational Chemistry

Learning Continuous and Data-Driven Molecular Descriptors by Translating Equivalent Chemical Representations

Robin Winter, Floriane Montanari, Frank Noé, Djork-Arné Clevert

Version 1 posted 30 July 2018

1,584

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Theoretical and Computational Chemistry

Identifying Structure-Property Relationships through SMILES Syntax Analysis With Self-Attention Mechanism

Shuangjia Zheng, Xin Yan, Yuedong Yang, Jun Xu

Version 2 posted 14 November 2018

2,727

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1

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Biological and Medicinal Chemistry

In silico insights: QSAR modeling of TBK1 kinase inhibitors for enhanced drug discovery

Julian Ivanov, Rumiana Tenchov, Krittika Ralhan, Kavita Iyer, Shivangi Agarwal, Qiongqiong Angela Zhou

Version 1 posted 22 August 2024

104

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