Chemistry
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mac179
  • Member for 1 year, 11 months
  • Last seen more than a month ago
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All Questions Answers
Score Newest
question
4
How to use Python RDKit to remove stereochemistry, salts and molecules with undesirable atoms or groups?
Feb 21, 2022
question
3
What are the physicochemical properties related to medical drugs in the PubChem database?
Oct 30, 2021
question
3
Python implementation of the Lilly Medchem Rules code? [closed]
Oct 1, 2022
question
2
Unique notation to search for compounds in PubChem and in Chembl
Nov 5, 2021
question
2
Python and RDKit to extract sub-structures in a SMILES
Feb 21, 2022
question
1
Where to find the ChEMBL21 database in CSV format?
Oct 13, 2021
question
1
How many characters does the SMILES notation uses? [closed]
Oct 23, 2021
question
1
Is chemAxon check of validity of a smiles the same as RDKit check?
Jan 6, 2022
question
0
Machine learning-based drug design: how to determine the desired properties given a target?
Feb 9, 2022
Top network posts
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92
Why `torch.cuda.is_available()` returns False even after installing pytorch with cuda?
8
Fastest way to read/process large wav files (or any large file) to python
7
What does "deterministic=True" in stable baselines3 library means?
6
Is it obligatory to participate in conference if accepted?
6
How to visually animate Markov chains in Python?

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