Databases, Chemical

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  Subject Areas on Research

  • Active learning for computational chemogenomics. 
  • Active-learning strategies in computer-assisted drug discovery. 
  • Artificial intelligence in chemistry and drug design. 
  • Customized Consensus Spectral Library Building for Untargeted Quantitative Metabolomics Analysis with Data Independent Acquisition Mass Spectrometry and MetaboDIA Workflow. 
  • Discovery of Key Physicochemical, Structural, and Spatial Properties of RNA-Targeted Bioactive Ligands. 
  • Ion mobility derived collision cross sections to support metabolomics applications. 
  • Selection of Informative Examples in Chemogenomic Datasets. 
  • Speckle modulation enables high-resolution wide-field human brain tumor margin detection and in vivo murine neuroimaging. 
  • Systematic functional profiling of transcription factor networks in Cryptococcus neoformans.