Mol-Instincts：World’s biggest and most comprehensive chemical database

 

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

 

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+

 

 

 

 

 

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