PRODUCT SUMMARY
World’s First Database Based on Quantum Chemistry and QSPR with 41 Related Patented Technologies.
Physical properties of chemical compounds are usually determined by experimental methods, which are time-consuming and costly to perform. In addition, in many cases experimental techniques are impossible to do due to the impurity, toxicity, and instability of chemicals.
Mol-Instincts has been developed based on 41 patented technologies, combining quantum chemical computations, fundamental scientific methods, statistical thermodynamics, QSPR, SVRC, and ANN with a proprietary over-fitting prevention algorithm. Thanks to the automatized Mol-Instincts technologies, chemical properties can be analyzed within 10 hours while having the advantage of being affordable costing under two dollars.
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Quantum Chemical Calculation,
QSPR Molecular Descriptors -
40 Patented Technologies
Fundamental Scientific Approaches
Statistical Thermodynamics
QSPR(Quantitative Structure-Property Relationships)
SVRC (Scaled Variable Reduced Coordinates)
Over-fitting Prevented ANN (Artificial Neural Network) -
Quality Inspection of Predicted Data
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1 Patented Technologies
Chemical Database & Online Service
EXCLUSIVE COMPOUNDS
Hydrocarbons | 958,000+ | |
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Nonhydrocarbons | Hetero Compounds | 1,510,000+ |
Halogen Compounds | 50,000+ | |
Extra-Hetero Compounds | 10,000+ | |
Drug-like Compounds | 1,312,000+ | |
Fuel Compounds | Gasoline | 105,000+ |
Jet-Fuel | 171,000+ | |
Diesel | 735,000+ | |
Biodiesel | 672,000+ | |
Chemical Processes | Soot Aromatic | 248,000+ |
Naphtha | 273,000+ | |
Combustion | 1,349,000+ | |
Thermal Cracking | 491,000+ | |
Catalytic Reforming | 408,000+ | |
Catalytic Cracking | 798,000+ | |
Hydro Cracking | 768,000+ | |
Desulfurization | 1,012,000+ | |
Isomerization | 231,000+ | |
GTL (Gas-To-Liquid) | 858,000+ | |
CTL (Coal-To-Liquid) | 1,249,000+ | |
MTO(Methanol-To-Olefin)/ MTG(Methanol-To-Gasoline) |
689,000+ |
CATEGORIES & APPLICATIONS
Molinstincts Information & Applications
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Thermo-Physicochemical Properties
- Reaction engineering
- Chemical process design / simulation / optimization
- Energy efficiency improvement for combustion processes
- Chemical safety and regulation
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Quantum Chemical Calculation Data
- Optimized 3D molecular structure
- Energy level comparison among other molecules
- Speed up molecular optimization by starting from the Mol-Instincts 3D structure
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Molecular Descriptors
- Obtaining descriptor values without running software
- QSPR / QSAR modeling
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Drug-Related Properties
- New drug discovery
- Drug possibility provision
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Spectra Data
- Application study with IR / NMR / VCD
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3D Visualization, Animation & Analysis
- Obtaining optimized molecular structure (2D/3D)
- Vibrational frequency analysis & animation
- Molecular orbitals (HOMO, LUMO)
HOW TO USE
Mol-Instincts Usage Guide
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Access Mol-Instincts Search website.
https://search.molinstincts.com -
Search your compounds by Text / Structure / Property.
Search a Compound -
Click 'View our data' of the matching compound in the result list to move to the property view page.
View our data -
Similar compounds are also shown along with matching accuracy.
Results with Matching Accuracy -
Seven different property categories are available – simply select as needed.
View Chemical Properties