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  • ViTAL is a comprehensive toxicity prediction platform which provides multiple levels of toxicity alerts in compliance with the requirements of regulatory authorities for product approval.
  • It has robust and tested methodologies derived from the collective expertise of field toxicologists, scientific and data inputs from reputed research institutes. ViTAL is well accepted by the industry.
  • ViTAL provides alerts for genotoxicity along with probability values which indicate the significance of toxicophores.
  • The unique three pronged approach of ViTAL combines reliable:
  • Decision tree methodology: It employs rulebase in accordance with the results of Joint Research Centre's European Chemicals Bureau`s hazard estimation based on the Benigni/Bossa rulebase for genotoxic carcinogenicity and mutagenicity (Benigni et .al. JRC Scientific and Technical, 2008).
  • ANOVA methodology: It provides the significance of the toxicophores based on F-ratio and probability
  • SAR / QSAR models: The models provide qualitative prediction for mutagenicity and carcinogenicity along with confidence level of prediction based on applicability domain
  • Additionally ViTAL provides molecular fingerprint based similarity search in database of toxic compounds to increase confidence level of genotoxicity prediction.
  • ViTAL databases include:
  • Compounds having TD50 values reported for rats and mouse species from Handbook of Carcinogenic Potency and Genotoxicity Database of Gold and Zieger.
  • Ames dataset for Mutagenecity, CPDB dataset for mutagenicity and carcinogenicity and dataset for COMET assay.
  • ViTAL allows use of customers’ databases for its predictions where available.
How to benefit from ViTAL
  • Specialized VLife Tox Prediction service is available
  • Per compound/structure basis
  • All structures in an API or product
  • Fixed annual fee based engagement
ChemXplor: fitness plot
Advantages of ViTAL
  • In-depth analysis with decision support documentation (ViTAL Report)
  • Quick turnaround time on queries
  • Affordable cost structure with attractive pricing options
  • Consulting for informed “Go-No go” decision in the context of regulatory norms and guidelines
  • Extended services for prediction for various toxicity endpoints (dermal irritation, corrosion, sensitization etc) and side effect analysis
Optionals: Capability enhancing technologies
MolSign: For pharmacophore generation & using it for optimization and searches.
LeadGrow: To create combinatorial library with a choice of substitutions.
LeadGrow+: This is an extension to the LeadGrow module for combinatorial library generation which ensures that molecules which can be synthesized can only be generated in a library.
Case studies: Application of VLife products
Target Identification Target Identification for existing nutraceutical molecule View
Anti-cancer : Classification model Anti-cancer: Classification model development View
Biosensor for herbicide Design of Biosensor for herbicide View
"GRIP docking in BioPredicta is a significant improvement over comparable technologies in terms of accuracy and speed of predictions of docking poses with respect to the co-crystallized X-ray structures."

R. Sowdhamini. Ph.D.
National Centre for Biological Sciences, Tata Institute of Fundamental Research (TIFR)
Product suites
Full function suite
Comprehensive 2D / 3D QSAR
All about proteins and docking
Functional products
Molecule visualization
VLife Engine
Conformer, force field analysis
Homology modeling & analysis
Protein - Ligand docking
Pharmacophore generation
Combinatorial library generation
Database searches
Property visualization
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