ChemMaster
Cheminformatics & Drug Design Software
Experience comprehensive and versatile cheminformatics and drug design capabilities, with a particular focus on QSAR modeling.
Features
QSAR Modeling
Complete & versatile QSAR modeling framework, including rational dataset division, activity scaling, descriptors & fingerprints calculation, machine learning model building and validation. Different QSAR methods are available which include:
- Regression-QSAR
- Classification (Binary)-QSAR
- Hologram-QSAR (HQSAR)
- Automatic-QSAR
All the developed models can be directly applied on new structures to predict the property (e.g. bioacitivity).
Cheminformatics & Drug Design Tasks
Our cloud computing services help businesses to increase their efficiency and reduce costs. We provide cloud solutions that are secure, scalable, and reliable.
- Conformers Generation
- Maximum Common Substructure (MCS) Analysis
- Clustering
- Similarity Analysis
Statistical Analysis
various statistical anaylsis options:
- Principal Component Analysis (PCA)
- Univariate Statistics
- Correlation Analysis
Essential Cheminformatics & Drug Design Tasks
Comprehensive molecular data management.
- Chemical Spreadsheet
- Interactive Plotting
- Substructure Search & Filtering
- Structure Preparation
- Duplicates Management
- Molecular Descriptors
- Molecular Fingerprints & Structural Keys
Easy to Use & Modern User Interface
CrescentSilico focuses on providing intuitive & easy to use modern graphical user interface.
ChemMaster - Pro
Automatic-QSAR
The ChemMaster - Pro version offers access to the Automatic-QSAR module, a powerful QSAR technique that automatically generates a wide range of QSAR models with minimal user input.