PowerMV is a software environment for statistical analysis, molecular viewing, descriptor generation, and similarity search.
Basic Functions:
- Supports MDL SDF format
- Displays molecules in multiple columns.
- Displays properties contained in SD file in a table.
- Anti-alias technology for best picture quality.
- Table of molecule pictures and properties can be exported to Excel (Office XP and above) to generate personalized reports.
- Calculates three types of binary atom pair descriptors and continuous weighed burden numbers.
- Searches over ACL library to determine possible mechanisms or side effects. The user can create and load their personal databases.
- Calculates Drug-like properties like LogP, PSA, MW, HBAs, HBDs, etc.
- Builds regression model using Least Angle Regression (LARS) and LASSO-2
- Builds regression and classification model using Random Forest through graphical interface to R.
- Cluster analysis with KMeans through graphical interface to R.
- Outlier detection using tetrads method (Douglas Hawkins, et al). (Code implemented by Andrew Wong).
- Novel robust single value decomposition (RSVD) for large datasets with missing values or outliers.
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