Chemical Compounds Deep Profiling Services

Over 2,100 Critical Datasets Per Single Chemical Compound

  • Available for Any compound, Rare or Novel, Composed of C, H, N, O, S, F, Cl, Br, I, Si, P, and/or As.

  • Covers Thermo-Physicochemical, Thermodynamic, Transport, and Pharmaceutical Properties.

  • Provides Spectroscopic Analyses including IR, NMR, and VCD.

  • Offers Quantum Chemical Information Including Total Energy and Molecular Orbitals.

  • Supplies Molecular Descriptors Including Quantum Chemical Descriptors.

  • Features 3D Visualization and Animation.

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41 Patented Technology

  • Fusing Quantum Chemistry, Statistical Thermodynamics, QSPR, and Neural Networks.

  • Conformer Analysis Ensuring an Optimal Initial Structure for Quantum Chemical Geometry Optimization.

  • Statistical Thermodynamics as a Foundation for Mechanistic Modeling.

  • Genetic Algorithm and Rigorous Statistical Tests in QSPR.

  • Overfitting Prevention in Neural Network Modeling.

Proven Reliability

  • Adopted by Over 1 Million Individual Users, 2,900 Universities, 1,800 Companies, and 200 Organizations Worldwide.

  • Cited in Prestigious Scientific Publications like NATURE, ELSEVIER, and Wiley.

  • Consistently Delivers an Average Accuracy Level Exceeding 95%.

  • Includes Comprehensive Cross-Checking with Other Established Methodologies.

  • Features Expert Inspection with Structurally Similar Compounds.

  • Validated Using over 1.5 Million Experimental Data Points Across More Than 230,000 Compounds.

Tailored Solutions and Big Data for Chemical AI

  • Instant Access Through a Subscribable Database.

  • Tailored Data File Delivery.

  • Bespoke Database Construction Services.

  • Delivers Refined Experimental Data.

  • Provides Quantum Chemical Calculation Results.

  • Customized Chemical Space Creation.

  • Supplies Big Data for Chemical AI Development.

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