Home | Careers | Contact us 
Sun Pharma
enters into agreement with VLife

QSAR modeling

Quantitative Structure Activity Relationship modeling and prediction is the fundamental methodology in an indirect drug design approach and is integral to a rational drug design process. QSAR modeling and analysis of results involves multiple steps requiring in depth knowledge of not only chemistry but also of statistics. The correct interpretation of results from a QSAR model is a key to utility of the entire QSAR exercise.

VLife QSAR Modeling services can assist at every step of a QSAR process beginning from advising on the choice of QSAR method to application of the results. Our scientific team has significant expertise in developing and applying QSAR techniques for new compound discovery as well as for optimizing discovered compounds. VLife’s patent pending GQSAR methodology enables our scientific team to accurately derive guidelines for modifying properties on a compound at specific sites. This provides an unprecedented advantage as it allows use of generated QSAR models to not only rationalize search results from chemical databases but to actually design or optimize new molecules.

QSAR is necessarily an iterative process and an in depth knowledge of the method and statistics is required to ensure that the iterations minimized. VLife’s QSAR Modeling services typically involve activities such as descriptor choice and calculation, statistical evaluation of the calculated descriptors, training and test set assignment, regression and results analysis. Our scientists evaluate multiple options for classes of descriptors, assignment of training and test set, choice of linear or non linear regression and choice of regression technique to determine the option that is most suitable to a particular project. They exercise an intelligent choice of parameters during each of these stages to deliver the most accurate and robust QSAR models in a time efficient manner. The QSAR Modeling services thus facilitate a complete ligand based design approach.
VLifeEngine_Alignment of Antibacterial compounds using template based method
Where VLife can help
Some other representative activities where our Knowledge Services can help you are:

  •  Fragment based molecule design
  •  Focused virtual library design
  •  Protein – protein interaction studies
  •  Compounds prioritization
  •  Pharmacophore guided molecule design
  •  Scaffold hopping
  •  Structure based search
  •  Data search and mining
  •  ‘What-if’ scenario analysis
Our expertise in computational discovery
Success with computation technology requires awareness of not only its strengths but also of the areas where it needs augmentation from other approaches. Being developers of computational technologies, we have proved our expertise by creating IP in 3 NCE classes and 7 new indication discoveries.
Wide diversity of experience
We cater to a variety of sectors and within them, a diversity of areas. e.g. in pharmaceuticals, we have successfully delivered discovery projects in oncology, anti-fungal, diabetes, CNS etc.
State-of-art technology portfolio
Clients benefit from the whole range of VLife's technologies having validated algorithms, published innovations and efficient workflows which are accessible to clients through VLife services.
In-house custom development skills
Generic technologies sometimes are inadequate or inefficient in complex research. For such needs, our in-house team has skills to develop custom technologies ensuring reliable research.
Case studies: VLife services
Anti-cancer : Classification model Anti-cancer : Classification model development View
Anti-cancer : AKT1 QSAR model Anti-cancer : AKT1 QSAR model development View
Dual active antifungals Development of dual active antifungals View
Research services
NCE discovery & optimization
Augment your candidate pipeline
New Indication discovery
For Product Lifecycle Management
Exploring shelf
Creating value from sunk cost
Go - no go decision support
For informed investment decision
Knowledge services
Virtual screening
Focus on what has potential
Protein modeling & docking
Structure based molecule design
QSAR modeling
Ligand based molecule design
Activity/ Tox/ ADME prediction
Early stage knowledge
Technology services
Custom development
Research automation
Idea -> Algorithm -> Software
Database management
Support center
Request for proposal
Reach VLife Expert
Sitemap Glossary Legal Notice
© Copyrights 2014, NovaLead Pharma. All Rights Reserved