MolUtil
MolUtil
- Molecular standardization
- Molecular representation: 4 descriptors and 16 fingerprints
- Chemical space visualization
- Statistical test for decision making: which type of fingerprint is suitable or reference compound that enhance performance
- Ensemble learning: stacking technique
Tanimoto similarity
\[T _{c}(A,B) = \frac{c}{a+b-c}\]- a: number of features present in molecule A
- b: number of features present in molecule B
- c: number of features shared by molecules A and B
Requirements
This module requires the following modules:
Installation
Clone this repository to use
Note
Updating…
Contributing
Please visit the MolUtil repository.