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2,000 Chemical Data Per Compound
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Available for Any Compound, Rare or Completely New, Composed of C, H, N, O, S, F, Cl, Br, I, Si, P, and/or As.
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Covers Thermo-physicochemical, Thermodynamic, Transport, and Pharmaceutical Properties.
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Provides Spectroscopic Analyses including IR, NMR, and VCD.
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Offers Quantum Chemical Computation Information.
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Includes Molecular Descriptors.
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Features 3D Visualization and Animation.
41 Patented Technology
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Fusing of 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.
Tailored Solutions
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Instant Data Access Through a Subscribable Database.
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Tailored Data File Delivery.
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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.