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chemminer
•
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290
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Comparing compounds in CheminneR
Cheminformatics
ChemmineR
ChemmineDrugs
9 months ago
Sean
• 0
0
votes
1
reply
826
views
ChemmineOB expects libopenbabel.7.dylib but latest OpenBabel 2.4.1 contains libopenbabel.5.dylib
cheminf
ChemmineOB
Cheminformatics
ChemmineR
2.8 years ago
adelenelai
• 0
0
votes
0
replies
1.3k
views
How to combined multiple *.mol files into a single *.sdf file using ChemmineR?
ChemmineR
Chemmin
ChemmineOB
3.0 years ago
sukissqz
• 0
3
votes
4
replies
1.3k
views
Error in ChemmineR function propOB() and ChemmineOB prop_OB()
ChemmineR
ChemmineOB
updated 3.3 years ago by
Thomas Girke
★ 1.7k • written 3.4 years ago by
teresadijor
• 0
2
votes
6
replies
1.1k
views
How to remove HCL mols in Chemminer
ChemmineR
Chemistry
updated 5.1 years ago by
khoran
• 0 • written 5.2 years ago by
Anthony Nash
▴ 20
1
vote
1
reply
914
views
Bioactivity assay DBs for cheminfo packages
bioassayR
ChemmineR
PubChem
updated 5.2 years ago by
Thomas Girke
★ 1.7k • written 5.2 years ago by
Anthony Nash
▴ 20
1
vote
1
reply
905
views
Where can I locate the bioassayR database?
bioassayr
chemmineR
cheminformatics
5.2 years ago
Anthony Nash
▴ 20
1
vote
4
replies
2.1k
views
How do I convert kegg info on drug to a format allowing me to calculate similarities?
keggrest
chemminer
fmcsr
graph
written 6.2 years ago by
Joris.Meys
• 0
0
votes
0
replies
838
views
Downloading 3D compounds from Pubchem in ChemmineR
chemminer
6.6 years ago
jubilantsundar
• 0
1
vote
2
replies
1.4k
views
drawing chemical from smile 2D/3D
chemminer
updated 6.9 years ago by
Thomas Girke
★ 1.7k • written 6.9 years ago by
Stane
▴ 40
0
votes
0
replies
966
views
Tversky' alpha and beta should not be int, should they?
ChemmineR
7.2 years ago
stephan.struckmann
• 0
0
votes
2
replies
1.4k
views
output of propOB function ChemmineR
ChemmineR
ChemmineOB
ChemmineTools
Drug
7.2 years ago
elisa.micarelli
▴ 10
0
votes
1
reply
2.1k
views
ChemmineR package - fpSim and cmp.similarity - Tanimoto kernels
ChemmineR
updated 8.0 years ago by
Thomas Girke
★ 1.7k • written 8.0 years ago by
ረ
• 0
0
votes
0
replies
1.1k
views
MCS & ChemineR
Network
Clustering
PROcess
ChemmineR
Network
Clustering
PROcess
ChemmineR
11.2 years ago
Thomas Girke
★ 1.7k
0
votes
0
replies
1.2k
views
ChemmineR Help
Clustering
ChemmineR
Clustering
ChemmineR
11.4 years ago
Thomas Girke
★ 1.7k
15 results • Page
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