1. Sujita Mishra
PI/289
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2. 
Contents
Introduction
Materials and Methods
Results
Conclusion 2

3. 
3
Introduction

4. 
GDB
Generated Chemical Universe
Database
SMU
Small Molecule Universe
ZINC
Introduction
4

5. 
Material and Methods
Data Sets for Launched Drugs,Drug Candidates,and Natural Products
“~1949” and
“2000~”
2005-2012
Before 2004
5

6. 
Molecular Descriptors
Lipinski’s Rule of five
Material and Methods
Physicochemical Properties
6

7. 
Material and Methods
Biological Relevant Spectrum
BRCD
Biorelevance Representative Compounds
Database
KEGG
Kyoto Encyclopedia of Genes and Genomes 7

8. 
Material and Methods
Activity Category Similarity Matrix and Prediction Models
8

9. 
Material and Methods
SVM and Performance Evaluation
9

10. 
Results
Property Shifting of
the Launched Drugs
Biological Relevance
of the launched
Drugs
Biological Relevant
Chemical Space
Navigating the
Chemical Space with
BRS
Availability and the
BioRel Server
10

11. 
11

12. 
12

13. 
Conclusion
RO5 is most simplest and widest method
Average BR score is decreasing
Drug Discovery is away from NP
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14. 
14