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| Technology > LeadGrow+ |
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Scaffold hopping is a powerful approach for scientists in their quest for a novel molecule from among the complex maze of patents.
Conventional combinatrorial library generation technologies generate library through substitution of groups on a given molecule template. The template in such a library remians unchanged, significantly limitating the diversity in the library generated.
LeadGrow+ removes this limitation and allows even the template to be substituted, thus enabling systematic exploration of chemical space for different scaffolds. This allows exploration of various scaffolds in library enumeration. Further LeadGrow+ provides scaffold hopping as a strategy to design new molecules and ensuring significant chemical diversity in the generated library.
LeadGrow+ thus creates diverse libraries that systematically explore available chemical space and helps researchers in the quest of novelty and uniqueness in new molecule design. |
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| GQSAR: A patent pending technology for fragment based QSAR developed by VLife which enhances use of QSAR for design optimization of molecule delivering highly specific site directed clues for design modification. |
| VLifeSCOPE: A novel technology application creating a hybrid approach for lead optimization and prioritization of design for a given purpose from a library of molecules. |
| kNN-MFA: A novel combination of k-nearest neighbor method with molecular field analysis which takes cognizance of critical non-linear relationships between molecular properties with its activity. |
| VLifeAutoQSAR: Unique automated approach to conduct QSAR that provides a best result based on a consensus of multiple QSAR models generated. |
| Aakar: A powerful and fast alignment independent shape search method with or without taking into consideration the chemical pharmacophoric features. |
| VLifeWorkFlow: A tool to customize and automate the discovery protocols of users using the CADD components. |
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LeadGrow+ enables an unprecedented ability to explore a larger chemical space by generating combinatorial libraries based on multiple templates. The ability to explore not only multiple templates but also individual groups on each fragment provides an unprecedented coverage of the working chemical space. |
LeadGrow+ enables a rigorous scanning of the chemical space by allowing library generation with substitutions on individual groups on each fragment of a template. |
The multiple screening functions in LeadGrow+ provide an ability to generate a focused combinatorial library satisfying the particular screening critera. |
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Development and screening of NMDA agonist View |
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"This new QSAR methodology gives QSARpro, a decisive edge over conventional QSAR. The ability to combine kNN with MFA is a unique approach which I came across only in QSARpro from VLife. It is now a method of choice in my research."
Dr. S.P.Gupta
Ex-BITS, Pilani |
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| GQSAR |
| For site specific design clues |
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| kNN-MFA |
| Taking cognizance of non-linearity |
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| Benefit of scaffold hopping |
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| Aakar |
| Shape Based Screening |
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| LeadGrow |
| Combinatorial library generation |
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