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| Products > QSARpro |
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QSARpro is the most comprehensive and powerful product for the indirect approach to drug design using QSAR. QSARpro not only predicts activity but also allows researchers to optimize leads with insights from QSAR results and generate focused molecular libraries. In addition to multiple 2D/ 3D QSAR methods, QSARpro also provides:
- VLife's patent pending GQSAR technology for fragment based QSAR approach to obtain site specific design clues which are critical for lead optimization
- Novel kNN-MFA methodology which creates robust 3D QSAR models by considering non-linear relationships between molecular properties and its activity
- A wide array of over 40 method options for building QSAR models for prediction of activity and activity based profiling of a molecular dataset
- A comprehensive collection of 1000+ molecular descriptors including 2D, 3D, alignment dependent and alignment independent for building robust QSAR models
QSARpro is available for both Linux and Windows® operating systems. |
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| 2D QSAR & 3D QSAR methods: QSARpro has multiple 2D QSAR and 3D QSAR methods for researchers to apply based on particular datasets |
| Patent pending GQSAR method: QSARpro is powered by GQSAR, which provides site specific clues for lead design and optimization |
| Descriptor calculations: QSARpro provides facilities for calculation of over 1000 molecular descriptors of various classes |
| VLifeEngine: For all molecular operations and the key activities of conformer generation and molecular alignment. |
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| kNN-MFA isosurface maps illustrating electrostati features in combination with NSAID compound |
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Peer reviewed algorithms
Algorithms in QSARpro have wide acceptance in scientific community. These algorithms are either published or are patent pending. There are multiple case studies of research conducted with QSARpro. |
Wide method options
QSARpro has a wide choice of statistical methods to suit requirements of the most demanding datasets. Allowing reserachers to combine model building with variable selection, QSARpro provides over 40 options for researchers to choose from. |
Accurate predictions
QSARpro has 1000+ molecular descriptors which significantly contribute to building a robust QSAR model. These include 2D, 3D, alignment dependent and alignment independent descriptors. |
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| MolSign: To analyze pharmacophoric features of ligands and for a pharmacophore guided design. |
| LeadGrow:To create combinatorial library with a choice of substitutions. |
| LeadGrow+: An extension to the combinatorial library generation capability of VLifeMDS 4.0 which ensures that molecules which can be synthesized can only be generated in a library. |
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Development of dual active antifungals View |
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Anti-cancer: Classification model development View |
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Pharmacophore identification and lead optimization for novel antifungals View |
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"Having done a thorough look-out for QSAR software in the global market, we found QSARpro to be the most comprehensive QSAR product in the market. The kNN-MFA and GQSAR add a unique dimension not found in any other product."
S. P. Gupta. Ph.D.
Ex-Head, Pharmacy
BITS - Pilani |
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| LeadGrow |
| Combinatorial library generation |
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