AI-Aided Molecular Property Prediction

Services

• Chemical Drug Development
  • AI-Assisted Retrosynthetic Analysis
• Complex Network Analysis Service
  • Genetic Interaction Network Analysis
  • MicroRNA and Target Gene Network Diagram
  • Pathway and Network Analysis
  • PPI Network Service
  • Residue Interaction Network Service
  • Series Test of Cluster Service
    • Gene Function Annotation Analysis and Function Enrichment Analysis Service
    • Hierarchical Clustering Service
    • K-means Clustering Service
    • KEGG Pathway Annotation and Enrichment Analysis Service
• Data Analysis
  • BSLMM Prediction
    • Fine Mapping
  • Databases and Softwares
    • Schrödinger Software
  • EpiXcan Based Analysis
  • Fusion Analysis
  • Open Chromatin Regions Analysis
  • PrediXcan Based Analysis
    • eQTL Analysis
    • Post-GWAS Analysis
    • TWAS Analysis
  • Sequence Specificity Analysis
    • DeepBind Based Analysis
  • Splice Junction Analysis
    • DARTS Analysis
    • SpliceAI Based Analysis
  • Splicing Related Genetic Variants Analysis
• In Silico Protein Structure Service
  • Protein Structure Prediction Service
    • Ligand Binding Site Prediction
    • Protein Motif Prediction
    • Signal Peptide Prediction
    • Transmembrane Prediction
• Pharmacogenomics Service
• AI-Aided Genomic Services
  • AI-Based Clinical Service
• AI-Aided Metabolic Services
  • Design and Optimization of Metabolic Processes
    • Metabolic Pathway Optimization
    • Metabolic Pathway Assembly
    • Metabolic Flux Optimization
    • Metabolic Pathway Reconstruction
  • AI-Aided Metabolic Engineering Services
    • AI-Based Prediction of Enzyme Kinetic Parameters
    • AI-Based Trans-Isomerase Design and Screening
    • AI-Based Enzyme-Catalyzed Metabolic Engineering Design
• Protein-Protein Interaction Prediction Service
  • Prediction of Protein-Protein Interaction Network
  • Prediction of Protein-Protein Interaction Sites
  • Protein Interaction Mapping
• AI-Aided Single Cell Analysis Services
  • Copy Number Variation Inference of Single Cell
  • Single-Cell Heterogeneity Analysis
  • Single-Cell Trajectory Analysis
  • Phylogenetic Inference
  • Cell-Cell Interactions Analysis
  • Integration of Single-Cell Data
• Protein Structure Modeling Service
  • Antibody Modeling Service
  • Fold Recognition Service
  • Fusion Protein Modeling Service
  • Homology Detection and Structure Alignment Service
  • Homology Modeling Service
  • Membrane Protein Modeling Service
  • Post-Translational Modification Service
  • By Types
    • Enzyme Modeling Service
• AI-Aided Biomaterials Development
  • AI-Aided Material Structure and Performance Prediction
  • AI-Aided Material Synthesis and Preparation Optimization
  • AI-Aided Material Surface Modification and Functionalization
  • AI-Aided Material Bionic Design and Optimization
  • AI-Aided Material Sustainability Assessment and Improvement
  • AI-Aided Material Performance Testing and Verification
• Protein Structure Analysis Service
  • Amino Acid Composition Analysis
  • Computational Protein Analysis
  • Hydrophobicity Analysis Service
  • Protein Sequence Analysis Service
  • AI for Functional Protein Annotation
• AI-Aided Synthetic Biology Service
  • AI-Assisted Cell Design
  • AI-Assisted Biocatalytic Element Design
  • AI-Assisted Regulators Design
    • DNA Trans-Regulator Element Design
    • DNA Cis-Regulator Element Design
    • Artificial RNA Regulator Element Design
  • AI-Assisted Sensing Element Design
• AI-Aided Protein Development
  • In Silico Protein Design
    • Enzyme Design
      • Enzyme Function Optimization
      • Enzyme Specific Modification
      • Enzyme Inhibitor Design
      • Enzyme Substrate Specificity Prediction
      • Enzyme Solubility Prediction
      • Enzyme Reaction Kinetic Modeling
    • Antibody Design
      • Antibody Sequence Prediction
      • Antibody Stability Optimization
      • Antibody De Novo Design
      • Antibody Affinity Maturation
      • Antibody-Drug Conjugation Design
    • Membrane Protein Design
      • Membrane Protein Channel Design
      • Protein Sequence Design and Optimization
      • Antigen Linear Epitope Prediction
    • Miniproteins Design
      • Backbone Design of Miniproteins
      • Disulfide Bond Design of Miniproteins
    • Structural Protein Design
      • Protein Mutation Prediction
      • Combinatorial Protein Assembly
      • Protein Antigenicity Prediction
  • Protein Structure Analysis Service
    • Single Particle Analysis Service
  • Protein Property Prediction Service
    • Protein Stability Prediction
    • Antibody Affinity Prediction
    • Antibody Specificity Prediction
    • Antibody Stability Prediction
    • Enzyme Property Prediction
  • Protein Visualization Service
    • AI-Based Cryo-EM Imaging Service
    • AI-Based EM Imaging Service
• AI-Aided Protein Development Service
  • Antibody Humanization Service
  • Immunogenicity Assessment
    • Peptide-MHC Binding Prediction
    • TCR Binding Prediction
  • Neoantigen Prediction
• AI-Aided Chemical Services
  • Chemical Synthesis Prediction Service
    • Forward Synthesis Prediction
    • Retrosynthetic Prediction
    • Compound Library Design
    • Chemical Synthesis Pathway Prediction
  • AI-Aided Quantum Chemistry Service
    • Chemical Reaction Mechanism Calculation Service
    • Chemical Shift Calculation Service
    • MEP Calculation Service
    • NOP Analysis Service
    • QM/MM Simulation Service
  • AI-Aided Spectrum Prediction Service
    • IR Spectrum Prediction Service
    • Raman Spectrum Prediction Service
    • UV Spectrum Prediction Service
    • Fluorescence Spectrum Prediction Service
    • Phosphorescence Spectrum Prediction Service
    • NMR Spectrum Prediction Service
    • ECD Prediction Service
    • Specific Rotation Prediction Service
    • VCD Spectrum Prediction Service
  • AI-Aided Molecular Property Prediction
    • Calculation of Molecular Dipole Moment
    • Calculation of Molecular Ionization Potential
• AI-Aided Drug Development
  • Drug Discovery Service
    • Drug-Disease Relationship Analysis
    • Drug-Drug Relationship Analysis
    • PK/PD Modeling
    • Target Identification
  • Drug Design Service
    • De novo Drug Design Service
    • Antibody–Antigen Docking Service
    • Covalent Docking
    • Fragment-Based Drug Design Service
    • Multiple Targeting Design
    • Pharmacophore Model Construction Service
    • Structure-Based Drug Design
    • Ligand-Based Drug Design
  • Virtual Screening Service
    • 3D-QSAR Screening Service
    • Inverse Virtual Screening Service
    • Lead Drug Screening, Scoring, and Ranking
    • Ligand-Based Virtual Screening Service
    • Pharmacophore Screening Service
    • Structure Activity Relationship Analysis and Development
    • Structure-Based Virtual Screening Service
  • Molecular Dynamics Service
    • Principal Component Analysis
    • Umbrella Sampling Simulation Service
    • Steered Molecular Dynamics Service
    • Replica Exchange Molecular Dynamics (REMD) Service
    • Coarse-Grained Dynamics Simulations
    • Targeted Molecular Dynamics (TMD) Simulation
    • Lipid Molecular Dynamics Simulation Service
    • Ring Polymer Molecular Dynamics
    • Membrane Protein Molecular Dynamics Simulation
    • Molecular Dynamics Analysis Service
  • Molecular Docking Service
    • Induced Fit Docking Service
    • Macrocycle Docking Service
    • Protein-Carbohydrate Docking Service
    • Protein-DNA Docking Service
    • Protein-Lipid Docking Service
    • Protein-Peptide Docking Service
    • Protein-Protein Docking Service
    • Protein-Small Molecule Docking Service
    • Reverse Docking Service
  • Drug Property Prediction
• AI-Aided Medical Services

Related Services:

• AI-Aided Quantum Chemistry Service
• AI-Aided Spectrum Prediction Service
• Chemical Synthesis Prediction Service