Gunther Schadow

Member for 4 years
Last seen more than a month ago

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cheminformatics

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Questions

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Score Activity Newest Views

5

InChI issue with organic salts, inconsistent approach?

Jul 17, 2021

5

What do sequence numbers in PDB files actually mean and why don't they match the sequence?

Oct 18, 2021

2

INCHI-1 software input format(s)?

Mar 17, 2021

2

How to "draw" a coordination bond (dashed bond) in MOLFILE?

Sep 16, 2021

2

How do I obtain a 3D MOLFILE for the lactose synthase structure, especially the catalytic center?

Sep 29, 2021

Answers

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4

What databases or repositories are there that have generalized SMILES for functional groups?

Mar 28, 2019

3

What are the disadvantages of using the InChI format?

Dec 8, 2019

2

How to calculate hydrogen from SMILES string?

Mar 28, 2019

0

How do I obtain a 3D MOLFILE for the lactose synthase structure, especially the catalytic center?

Oct 18, 2021

-1

Why does ice get colder when you add salt?

Nov 5, 2019

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cheminformatics

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notation

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organic-chemistry

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inorganic-chemistry

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