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Over 2,100 Critical Datasets Per Single Chemical Compound
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Offers Quantum Chemical Information Including Total Energy and Molecular Orbitals.
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41 Patented Technology
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Fusing Quantum Chemistry, Statistical Thermodynamics, QSPR, and Neural Networks.
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Conformer Analysis Ensuring an Optimal Initial Structure for Quantum Chemical Geometry Optimization.
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Statistical Thermodynamics as a Foundation for Mechanistic Modeling.
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Genetic Algorithm and Rigorous Statistical Tests in QSPR.
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Overfitting Prevention in Neural Network Modeling.
Proven Reliability
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Adopted by Over 1 Million Individual Users, 2,900 Universities, 1,800 Companies, and 200 Organizations Worldwide.
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Cited in Prestigious Scientific Publications like NATURE, ELSEVIER, and Wiley.
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Consistently Delivers an Average Accuracy Level Exceeding 95%.
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Includes Comprehensive Cross-Checking with Other Established Methodologies.
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Features Expert Inspection with Structurally Similar Compounds.
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Validated Using over 1.5 Million Experimental Data Points Across More Than 230,000 Compounds.
Tailored Solutions and Big Data for Chemical AI
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Bespoke Database Construction Services.
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Delivers Refined Experimental Data.
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Provides Quantum Chemical Calculation Results.
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Customized Chemical Space Creation.
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Supplies Big Data for Chemical AI Development.
