Rajarshi Guha

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Name	Rajarshi Guha
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Convert SLN to SMARTS

cheminformatics

feb 9 at 13:01 baoilleach♦ 341●7

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2D Structure Generation - Background and Techniques ??

Tanimoto(“raven”, “writing desk”)

Compute similarity between two distance matrices

What docking tool can be easily integrated with the CDK?

How can a CDK data model be saved as Gromacs input for studies it supports?

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cheminformatics× 3
cdk× 2
structure
moleculardynamics
howto
gromacs
generation
fingerprints
docking
2d

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