| |
|
| Products > ChemDBS |
|
|
|
|
|
|
ChemDBS is an advanced level database search tool for searching chemical compounds for structure recognition and similarity. In conjunction with complementary modules from VLifeMDS, ChemDBS enables a chemoinformatics based approach to drug discovery and also completes the ligand based approach to discovery. ChemDBS helps to accurately derive information from databases that leads to knowledge about chemically matching structures that can be used for replacement or modification of existing known chemical form.
With ChemDBS, users can query databases in the form of descriptors, 2D template, 3D template, pharmacophore or molecular fingerprints. It allows users to refine their search by defining attributes for all atoms of the template including dummy atoms. A convenient worksheet format with separate tabulated hit lists and the ability to collate the data help to easily analyze the results. |
| |
 |
| |
|
Database management
ChemDBS allows segregation of search results from individual searches in separate folders. The convenience of retrieving hits stored in tabular form and exporting to Microsoft Excel makes ChemDBS a very easy to use database management module. |
Querying options
A variety of querying options including descriptor based search, 2D and 3D substructure based search, pharmacophore based search and molecular fingerprint based search complete the pack of querying options within ChemDBS thus making it a complete suite of chemoinformatics for drug design. |
Analysis of hits
Users can use the variety of graphing and sorting functions within ChemDBS to effectively analyze the hits. Hits can be sorted, their patterns can be plotted with scatter plot or distribution plot, their diversity analysis can be done by bar graph and the 2D structure can be visualized and chemically analyzed. Hits can be further subjected for descriptor calculation to obtain their property evaluation. |
|
|
|
 |
| Pharmacophore based screening and analysis of screened molecules using ChemDBS |
|
|
|
Peer reviewed algorithms
Algorithms in VLifeMDS have wide acceptance in scientific community. These algorithms are either published or are patent pending. There are multiple case studies of research conducted with VLifeMDS. |
Ease of plug-in / plug-out
Although an integrated platform, VLifeMDS has a modular architecture. Customers can buy the whole suite in one-go or buy incrementally as per the evolving needs of their research projects. Incremental module additions seamlessly integrate with rest of the modules to provide a consistent experience. |
Ease of customization & integration
VLifeMDS is developed fully in-house with complete ownership of every line of code. This provides unprecedented flexibility to add-on/ customize the product to suit customer specifications as well as integrating it to customers' existing discovery workbench. |
|
|
|
|
| |
|
 |
Target Identification for existing nutraceutical molecule View |
 |
Anti-cancer: Classification model development View |
 |
Design of Biosensor for herbicide View |
|
|
|
|
|
|
|
|
|
|
|
|
|
| Conformer, force field analysis |
|
|
|
| |
|
|
| LeadGrow |
| Combinatorial library generation |
|
|
|
|
|
|
|
|
