Mol-Instincts
World’s First Database Based on Quantum Mechanics 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 mechanics, 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.
Quantum Mechanical 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
1 Patented Technologies
Chemical Database & Online Service
EXCLUSIVE COMPOUNDS
Number of Chemical Compounds Available
| Hydrocarbons | 958,000+ | |
|---|---|---|
| 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+ |
| Naphta | 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
Thermo-PhysicoChemical Properties
- Reaction engineering
- Chemical process design/simulation/optimization
- Energy efficiency improvement for combustion processes
- Chemical safety and regulation
Quantum Data
- Optimized 3D molecular structure
- Energy level comparison among other molecules
- Speed up molecular optimization by starting from the Mol-Instincts 3D structure
Molecular Descriptors
- Obtaining descriptor values without running software
- QSPR / QSAR modeling
Drug-Related Properties
- New drug discovery
- Drug possibility provision
Spectra Data
- Application study with IR / NMR / VCD
Analysis Data
- Obtaining optimized molecular structure (2D/3D)
- Vibrational frequency analysis & animation
- Molecular orbitals (HOMO, LUMO)
Mol-Instincts ACCURACY
Accuracy Level of Above 95%
Due to the limitations of experiments, hundreds of estimation methods and software have been developed. These are, however, mostly based on empirical approaches whose accuracy is low.
The predicted data were compared and verified with millions of experimental data collected from every possible source, including journal, textbooks, and existing databases for more than 5 years.
Accuracy of Existing Estimation Methods (Joback Method)
63.07%
Accuracy of Mol-Instincts Prediction
95.02%
(Mol-Instincts)For the same example of normal boiling point estimation with 2,171 compounds, Mol-Instincts shows an accuracy level of above 95% while well-known existing Joback method shows accuracy of 63.07%
DEVELOPMENT PROCESS
40 Related Patents
LOGON is a pan-asian company operating in China, Hong Kong (HK), India, Singapore, Malaysia, Indonesia, Vietnam, Philippines and Thailand. LOGON has local dedicated trained product specialists in Hong Kong, Guangzhou, Kuala Lumpur, Mumbai and Bangalore. LOGON acts both as value added reseller and sole distributor for award winning software solutions. Customers can buy new licenses, purchase upgrades and renewals from any of our local offices. Contact us for first line support during evaluations, PoCs. We offer best practices consulting services and classroom & online training. Check our site for latest offers, special discounts, bundle deals, etc..
