title: BioTriangle: a web-accessible platform for generating various molecular representations for chemicals, proteins, DNAs/RNAs and their interactions.
abstract: BACKGROUND
  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. The rapidly increasing amount of publicly available data in biology and chemistry enables researchers to revisit interaction problems by systematic integration and analysis of heterogeneous data. Currently, some tools have been developed to represent these components. However, they have some limitations and only focus on the analysis of either small molecules or proteins or DNAs/RNAs. To the best of our knowledge, there is still a lack of freely-available, easy-to-use and integrated platforms for generating molecular descriptors of DNAs/RNAs, proteins, small molecules and their interactions.
  
  
  RESULTS
  Herein, we developed a comprehensive molecular representation platform, called BioTriangle, to emphasize the integration of cheminformatics and bioinformatics into a molecular informatics platform for computational biology study. It contains a feature-rich toolkit used for the characterization of various biological molecules and complex interaction samples including chemicals, proteins, DNAs/RNAs and even their interactions. By using BioTriangle, users are able to start a full pipelining from getting molecular data, molecular representation to constructing machine learning models conveniently.
  
  
  CONCLUSIONS
  BioTriangle provides a user-friendly interface to calculate various features of biological molecules and complex interaction samples conveniently. The computing tasks can be submitted and performed simply in a browser without any sophisticated installation and configuration process. BioTriangle is freely available at http://biotriangle.scbdd.com.Graphical abstractAn overview of BioTriangle. A platform for generating various molecular representations for chemicals, proteins, DNAs/RNAs and their interactions.
authors.affiliation: School of Pharmaceutical Sciences, Central South University, Changsha, People's Republic of China.
authors.forename: Jie
authors.initials: J
authors.lastname: Dong
authors.affiliation: College of Chemistry and Chemical Engineering, Central South University, Changsha, People's Republic of China.
authors.forename: Zhi-Jiang
authors.initials: ZJ
authors.lastname: Yao
authors.affiliation: College of Chemistry and Chemical Engineering, Central South University, Changsha, People's Republic of China.
authors.forename: Ming
authors.initials: M
authors.lastname: Wen
authors.affiliation: School of Mathematics and Statistics, Central South University, Changsha, People's Republic of China.
authors.forename: Min-Feng
authors.initials: MF
authors.lastname: Zhu
authors.affiliation: School of Pharmaceutical Sciences, Central South University, Changsha, People's Republic of China.
authors.forename: Ning-Ning
authors.initials: NN
authors.lastname: Wang
authors.affiliation: School of Public Health, University of Texas Health Science Center, Houston, TX USA.
authors.forename: Hong-Yu
authors.initials: HY
authors.lastname: Miao
authors.affiliation: Institute for Advancing Translational Medicine in Bone and Joint Diseases, School of Chinese Medicine, Hong Kong Baptist University, Hong Kong, SAR People's Republic of China.
authors.forename: Ai-Ping
authors.initials: AP
authors.lastname: Lu
authors.affiliation: School of Pharmaceutical Sciences, Central South University, Changsha, People's Republic of China.
authors.forename: Wen-Bin
authors.initials: WB
authors.lastname: Zeng
authors.affiliation: School of Pharmaceutical Sciences, Central South University, Changsha, People's Republic of China ; Institute for Advancing Translational Medicine in Bone and Joint Diseases, School of Chinese Medicine, Hong Kong Baptist University, Hong Kong, SAR People's Republic of China.
authors.forename: Dong-Sheng
authors.initials: DS
authors.lastname: Cao
keywords: Cheminformatics; Interaction features; Molecular descriptors; Molecular representation; Online descriptor calculation; QSAR/QSPR