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  1. Article

    Open Access

    BioTriangle: a web-accessible platform for generating various molecular representations for chemicals, proteins, DNAs/RNAs and their interactions

    More and more evidences from network biology indicate that most cellular components exert their functions through interactions with other cellular components, such as proteins, DNAs, RNAs and small molecules. ...

    Jie Dong, Zhi-Jiang Yao, Ming Wen, Min-Feng Zhu in Journal of Cheminformatics (2016)

  2. Article

    Open Access

    ChemDes: an integrated web-based platform for molecular descriptor and fingerprint computation

    Molecular descriptors and fingerprints have been routinely used in QSAR/SAR analysis, virtual drug screening, compound search/ranking, drug ADME/T prediction and other drug discovery processes. Since the calc...

    Jie Dong, Dong-Sheng Cao, Hong-Yu Miao, Shao Liu in Journal of Cheminformatics (2015)