Small-Molecule Conformer Generators: Evaluation of Traditional Methods and AI Models on High-Quality Data Sets

Zhe Wang 0041, Haiyang Zhong, Jintu Zhang, Peichen Pan, Dong Wang, Huanxiang Liu, Xiaojun Yao, Tingjun Hou, Yu Kang 0002. Small-Molecule Conformer Generators: Evaluation of Traditional Methods and AI Models on High-Quality Data Sets. Journal of Chemical Information and Computer Sciences, 63(21):6525-6536, November 2023. [doi]

Authors

Zhe Wang 0041

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Haiyang Zhong

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Jintu Zhang

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Peichen Pan

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Dong Wang

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Huanxiang Liu

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Xiaojun Yao

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Tingjun Hou

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Yu Kang 0002

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