metamolecular mx issues

metamolecular / mx

Essential Cheminformatics

htttp://metamolecular.com/mx

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issues

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Fingerprinter hangs for larger molecule

#18 WolframT opened 12 years ago
7
Repeated use of PathFingerprinter gets slower each time

#17 metamolecular opened 14 years ago
4
Setting fingerprint length results in empty fingerprint

#16 metamolecular closed 14 years ago
0
PathFingerprinter hangs on Brevetoxin B structure.

#15 metamolecular closed 14 years ago
2
Deuterium "D" should be parsed by MolfileReader

#14 rapodaca opened 15 years ago
0
A Bloom filter should be factored out of PathFingerprinter

#13 rapodaca closed 15 years ago
1
Fingerprinter fails to match propane to acetone

#12 rapodaca closed 15 years ago
1
Hypervalent sulfur, nitrogen, and other heteroatoms should match without using unsaturation degree

#11 rapodaca opened 15 years ago
0
Update URLs in README.txt

#10 rapodaca closed 15 years ago
0
Authors file

#9 metamolecular closed 15 years ago
1
Fingerprinter

#8 metamolecular closed 15 years ago
0
SMILES Reader should be removed from release until fully implemented.

#7 metamolecular opened 15 years ago
1
Toluene quat carbon shouldn't match neopentane quat carbon but does

#6 metamolecular closed 15 years ago
0
MolfileReader and MolfileWriter should support atom value (V) in properties block

#5 metamolecular opened 15 years ago
0
Molecule bearing explicit hydrogen should match itself.

#4 metamolecular closed 15 years ago
0
Molfile output comments line should use MX, not ChemWriter

#3 metamolecular closed 15 years ago
0
Creating DefaultMapper from copied molecule throws

#2 metamolecular closed 15 years ago
0
Molecule bearing explicit hydrogen should match itself.

#1 metamolecular closed 15 years ago
0