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IanAWatson
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Lilly-Medchem-Rules
Implementation of Lilly Medchem Rules - J Med Chem 2012
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#20
hadim
opened
1 year ago
0
Set demerit threshold
#19
dence
opened
2 years ago
1
Windows Installation
#18
suneelbvs
closed
3 years ago
2
correct use of symmetry filter
#17
nbehrnd
opened
4 years ago
0
Compiling on Centos 7.8 (gcc 4.8.5)
#16
ihayhurst
opened
4 years ago
1
Deduplication based on a line-by-line comparison
#15
nbehrnd
closed
4 years ago
1
changes to ease «probing the software»
#14
nbehrnd
closed
4 years ago
4
bugfix syntax errors in the larger example file of known drugs
#13
nbehrnd
closed
4 years ago
1
suggest: addition of reference data about known drugs
#12
nbehrnd
closed
4 years ago
1
Considering README.md as possible appetizer
#11
nbehrnd
closed
4 years ago
1
Compilation in cygwin on windows 10
#10
de-maas
closed
4 years ago
5
Updated Makefile to look into correct directory for supporting libs
#9
rajarshi
closed
5 years ago
1
Fix compilation errors with clang 9
#8
rajarshi
closed
5 years ago
1
Issues with compiling on redhat
#7
jmoch
closed
5 years ago
4
read input from stdin
#6
flc
closed
6 years ago
2
Aborted (core dumped) problem with isothiazole rings
#5
takacsgergely
closed
4 years ago
3
Consider supporting reading of aromatic [se] and [te]
#4
baoilleach
opened
7 years ago
3
When reading hypervalent nitrogen from SMILES, valence should be rounded up to 5 with Hs
#3
baoilleach
opened
7 years ago
4
Compilation on Debian
#2
markf-opensource
opened
10 years ago
5
symmetric compounds warning
#1
UnixJunkie
opened
11 years ago
0