Molecular Descriptor Calculator for QSAR
Science
What is Vijay Masand?
PyDescriptorC* is a Python-based extension of PyDescriptor. It processes 3D molecular structures in MOL2 format. It provides interpretable and reproducible descriptors directly in CSV format.
Key Features
- Processes 3D molecular structures (MOL2 format)
- Provides descriptors in CSV format
- Extension of PyDescriptor
- Validated on diverse datasets
