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Mol-Instincts
World’s biggest and most comprehensive chemical database.
PREDICTED BASED ON QUANTUM MECHANICS
Mol-Instincts is a new revolutionary chemical database based on our proprietary quantum and scientific computation technologies. Unlike other databases, all data and information are predicted with our in-house technologies and nothing is collected from third-parties. Our prediction accuracy was fully verified with existing experimental data available to date. Mol-Instincts is the world’s biggest and most comprehensive database providing more than 10 billion sets of data and information, which is at least 100 times greater than any other database in the market.
Introduction of Chemical Property Database
Mol-Instincts
First chemical database based on Quantum Mechanics.
Cited in Research Papers Like Nature
Based on 41 Patented Technologies Awarded Korea Best Patents for 2014
The world's largest in terms of information volume Developed NAVER Chemical Structure Dictionary
PRODUCT SUMMARY
What is Mol-Instincts?
Cited in the Research Papers
Like Nature
Based on 41 Patented Technologies
Awarded Korea Best Patents
for 2014
World's Largest in Terms of Information Volume
Developed NAVER Chemical Structure Dictionary
NEW
A New Chemical Database
World’s First chemical database based on Quantum Mechanics.
2.85 Million
More than 5.9 Billion Data and Info
Over 2,100 sets of data are available for each and every 2.85 million compounds.
95%
High Level of Accuracy
The level of prediction accuracy by Mol-Instincts has been verified to be above 95% in most cases when compared with experimental data available to date (other existing mothod, e.g., Joback Method provides 63% of the accuracy level for boiling point prediction).
EXCLUSIVE COMPOUNDS
Number of Chemical
Compounds Available
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Hydrocarbons |
958,000+ |
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Nonhydrocarbons |
Hetero Compounds |
1,510,000+ |
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Halogen Compounds |
50,000+ |
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Extra-Hetero Compounds |
10,000+ |
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Drug-like Compounds |
1,312,000+ |
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Fuel Compounds |
Gasoline |
105,000+ |
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Jet-Fuel |
171,000+ |
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Diesel |
735,000+ |
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Biodiesel |
672,000+ |
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Chemical Processes |
Soot Aromatic |
248,000+ |
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Naphta |
273,000+ |
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Combustion |
1,349,000+ |
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Thermal Cracking |
491,000+ |
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Catalytic Reforming |
408,000+ |
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Catalytic Cracking |
798,000+ |
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Hydro Cracking |
768,000+ |
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Desulfurization |
1,012,000+ |
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Isomerization |
231,000+ |
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GTL (Gas-To-Liquid) |
858,000+ |
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CTL (Coal-To-Liquid) |
1,249,000+ |
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MTO(Methanol-To-Olefin) / MTG(Methanol-To-Gasoline) |
689,000+ |
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DATA CATEGORIES
Mol-Instincts
Information & Applications
Thermo-Physico- Chemical 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)
ACCURATE PREDICTION
(41 Related Patents)
Mol-Instincts
Development Process
STEP 1 High Quality
Quantum Calculation
Input structure for the quantum calculation was determined by conformer analysis – the most stable structure was used.
STEP 2 Most Advanced
QSPR Modeling
QSPR modeling was performed with more than 2,000 molecular descriptors which contains the quantum calculation results.
STEP 3 Detailed
Model Verification
Predicted data were compared and verified with the experimental data available to date, and the accuracy level of 95% was confirmed in most cases.
STEP 4 Chemical Property
Categorization
The Mol-Instincts database containing over 2,100 sets of data and information per compound was constructed.
USAGE GUIDE
How To Use Mol-Instincts
① Access Mol-Instincts Search website.
http://search.molinstincts.com
② Search your compounds by Text / Structure / Property.
Search a Compound
③ Click 'View our data' of the matching compound in the result list to move to the property view page.
View our data
④ Similar compounds are also shown along with matching accuracy.
Results with Matching Accuracy
⑤ Seven different property categories are available – simply select as needed.
View Chemical Properties
Our core technologies are the results of fusing fundamental chemical science and information technologies
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