Molinstincts - 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

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
Halogen Compounds
Extra-Hetero Compounds
1,510,000+
50,000+
10,000+
Drug-like Compounds
1,312,000+
Fuel Compounds Gasoline
Jet-Fuel
Diesel
Biodiesel
105,000+
171,000+
735,000+
672,000+
Chemical Processes Soot Aromatic
Naphta
Combustion
Thermal Cracking
Catalytic Reforming
Catalytic Cracking
Hydro Cracking
Desulfurization
Isomerization
GTL (Gas-To-Liquid)
CTL (Coal-To-Liquid)
MTO(Methanol-To-Olefin) / MTG(Methanol-To-Gasoline)
248,000+
273,000+
1,349,000+
491,000+
408,000+
798,000+
768,000+
1,012,000+
231,000+
858,000+
1,249,000+
689,000+


CATEGORIES & APPLICATIONS
Molinstincts Information & Applications


Medicinal Chemistry Thermo-PhysicoChemical Properties
  • Reaction engineering
  • Chemical process design / simulation / optimization
  • Energy efficiency improvement for combustion processes
  • Chemical safety and regulation
Drug Design
Quantum Data
  • Optimized 3D molecular structure
  • Energy level comparison among other molecules
  • Speed up molecular optimization by starting from the Mol-Instincts 3D structure

Cheminformatics
Molecular Descriptors
  • Obtaining descriptor values without running software
  • QSPR / QSAR modeling
Structural Bioinformatics
Drug-Related Properties
  • New drug discovery
  • Drug possibility provision
Practical Drug Discovery
Spectra Data
  • Application study with IR / NMR / VCD
Practical Drug Discovery
Analysis Data
  • Obtaining optimized molecular structure (2D/3D)
  • Vibrational frequency analysis & animation
  • Molecular orbitals (HOMO, LUMO)
Search your compound                         How to use

Click Here to download the Molinstincts User Manual

                                        Contact Us for purchasing a license for the software