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10 TechQA 2025-01-06 13:07:06
2
Answer
147
Views

Parse multicolumn string using python

147 views Asked by Ben At 06 January 2025 at 13:07
0
Answer
250
Views

Bit match analogue for array of words (fingerprints)

250 views Asked by Artico At 06 January 2025 at 13:09
3
Answer
9450
Views

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
0
Answer
93
Views

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

93 views Asked by Gosia At 07 January 2025 at 06:45
0
Answer
118
Views

MaxMin diversity selection with RDKit

118 views Asked by rgoth At 06 January 2025 at 13:07
2
Answer
204
Views

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

204 views Asked by Time Step At 06 January 2025 at 13:11
1
Answer
320
Views

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

320 views Asked by Mara At 06 January 2025 at 13:13
1
Answer
152
Views

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

152 views Asked by rkarki At 06 January 2025 at 13:13
1
Answer
753
Views

Converting pandas columns of chemical formulas to SMILES

753 views Asked by James Arten At 06 January 2025 at 13:10
1
Answer
290
Views

How to use the ChEMBL API to download the chembldescriptors?

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

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