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October, 2013 UPDATE:

Screening Compounds

Fragment library


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Diversity Libraries

Diversity LibrariesOtava Diversity Libraries PrimScreen1, PrimScreen2, PrimScreen3, PrimScreen5, PrimScreen10 and PrimScreen15 are prepared by diversity sorting

 using CheD software. Diversity is a property of dataset and characterizes the similarity (or dissimilarity) of molecules included in it. The goal of Diversity calculation and sorting is to select a maximally diverse subset of a given size from a given large pool of candidate molecules. The diverse data set can be used for screening purposes to reduce expenses for compounds testing or compounds selection.

 

 

 

 

 

Diversity set

Number of compounds

Min. value of diversity

Download

PrimScreen1

1000

0.8922

icon DB icon SDF

PrimScreen2

2000

0.8793

icon DB icon SDF

PrimScreen3

3000

0.8703

icon DB icon SDF

PrimScreen5

5000

0.8601

icon DB icon SDF

PrimScreen10

10000

0.8460

icon DB icon SDF

PrimScreen15

15000

0.8383

icon DB icon SDF

 

The libraries contain drug-like compounds only.

All compounds are in stock, cherry-picking is available.

 

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