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Parse multicolumn string using python

score 157 · Answer 1 · 2025-01-06 13:07:06

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Parse multicolumn string using python

157 views Asked by Ben At 06 January 2025 at 13:07

score 262 · Answer 2 · 2025-01-06 13:09:36

Bit match analogue for array of words (fingerprints)

262 views Asked by Artico At 06 January 2025 at 13:09

score 9457 · Answer 3 · 2025-01-06 13:13:16

Converting SMILES to chemical name or IUPAC name using rdkit or other python module

9.4k views Asked by Alex At 06 January 2025 at 13:13

score 100 · Answer 4 · 2025-01-07 06:45:51

How to use the CalCRDF function of rdkit.Chem.rdMolDescriptors to calculate RDFs of selected atom/atom type?

100 views Asked by Gosia At 07 January 2025 at 06:45

score 124 · Answer 5 · 2025-01-06 13:07:05

MaxMin diversity selection with RDKit

124 views Asked by rgoth At 06 January 2025 at 13:07

score 214 · Answer 6 · 2025-01-06 13:11:22

Draw a cloud or lines over the polar area of a molecule in RDKit

214 views Asked by Time Step At 06 January 2025 at 13:11

score 329 · Answer 7 · 2025-01-06 13:13:56

normally distributed population, calculating in R the probability of negative or zero readings occurring

329 views Asked by Mara At 06 January 2025 at 13:13

score 159 · Answer 8 · 2025-01-06 13:13:54

Is there a way to calculate overlap percentage/score from a perspective of smaller chemical structure?

159 views Asked by rkarki At 06 January 2025 at 13:13

score 762 · Answer 9 · 2025-01-06 13:10:32

Converting pandas columns of chemical formulas to SMILES

762 views Asked by James Arten At 06 January 2025 at 13:10

score 296 · Answer 10 · 2025-01-06 13:10:43

How to use the ChEMBL API to download the chembldescriptors?

296 views Asked by LePe77it At 06 January 2025 at 13:10

TechQA.

List Question

Parse multicolumn string using python

Bit match analogue for array of words (fingerprints)

Converting SMILES to chemical name or IUPAC name using rdkit or other python module

How to use the CalCRDF function of rdkit.Chem.rdMolDescriptors to calculate RDFs of selected atom/atom type?

MaxMin diversity selection with RDKit

Draw a cloud or lines over the polar area of a molecule in RDKit

normally distributed population, calculating in R the probability of negative or zero readings occurring

Is there a way to calculate overlap percentage/score from a perspective of smaller chemical structure?

Converting pandas columns of chemical formulas to SMILES

How to use the ChEMBL API to download the chembldescriptors?

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