Wombat's World
Danvers, MA explosion. I think I was there in spirit. by bluestar 5 days 137
camels and mysticism! by saharasirocco 10 days 41
airplanes by #9569 15 days (4 replies) 40
Re: airplanes by lilpolock 10 days 37
Re: airplanes by Blue Eyes 7 days 22
Re: airplanes by pada 4 days 22
unavoidable collision by lilpolock 15 days 28
Re: unavoidable collision by lilpolock
Weird Dream by brebre2111 55 days 132
Re: Weird Dream by #23475 30 days 21
Angels by #66687 60 days 96
Re: Angels by marylo 57 days 120
Re: Angels by hollytree 22 days 32
Tracey by wombat 66 days
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http://katewombat.blogspot.com/2005_10_01_katewombat_archive.html
The Wombat is a Joy, a Triumph, a Delight, a Madness!" ~ Dante Gabriel Rossetti
Before I knew it, we were descending into Boston. I weaved my way among
the retirees on the jet way and walked out the door of Logan to find an
Avis bus just pulling up, and hopped on it to go get my Ford Focus.
There's always a lot of traffic north of Boston, but two rotaries
(and a pass nearby Malden, Adrean!) later I was approaching
Danvers and the Sheraton.
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http://membership.acs.org/C/COMP/pastprograms/Sp05a.html
WOMBAT (WOrld of Molecular BioAcTivity)
COMP 45 [852042]: Confusing descriptors:
Where chemical information gets dizzy
Cristian G. Bologa, Marius Olah, and Tudor I. Oprea,
Division of Biocomputing, University of New Mexico School
of Medicine, MSC 084560, 1 University of New Mexico,
Albuquerque, NM 87131-0001, toprea@salud.unm.edu
Structures from WOMBAT (WOrld of Molecular BioAcTivity)
[1] were investigated with several descriptor systems.
For 79,483 unique non-stereoisomeric compounds,
we found multiple "confused" instances: For 2D-descriptors,
314 duplicates (0.4%) across 80 descriptors (487 pairs);
for MESA-implemented [2] MDL keys, 4391 duplicates
(5.5%) across 320 keys; for Daylight fingerprints [3],
7166 duplicates (9.0%) for 512-keys, 5010 duplicates
(6.3%) for 1024-keys, and 4092 duplicates (5.1%)
at the 2048 level. The WOMBAT-derived set of 512 keys
had 6202 (7.8%) duplicates. Our results indicate that,
for several chemical descriptor systems, it is not always
possible to provide a 1:1 map between chemical structure
and chemical description. This implies that we can
devise an information-rich, yet "confused" descriptor
system, i.e., a chemical information exchange tool
allowing for chemical structure ambiguity. ====================================================='
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