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Lazy File Reading with mmap
The example source code often provided with cheminformatics libraries to demonstrate the available functionality often try to address two conflicting requirements. On the one hand, these attempt to be...
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Ye cannae change the laws of physics
One of the problems with curating chemical databases of small organic molecules is filtering out bogus connection tables from legitimate molecules. One aspect of this challenge has been termed [Ed: “I”...
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Radioactivity — It’s in the air for you and me
Radioactivity, discovered by Madame Curie, is the process by which the nucleus of an “unstable” atom decays to a different form. As mentioned in a previous blog post, atoms are composed of protons,...
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Molecular Half-life: The light that burns twice as bright burns for half as long
In a previous post I described how to use cheminformatics to determine whether or not a compound was radioactive by checking for unstable atomic nuclei. Alas, such a binary yes-or-no classification is...
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Text Mining for a Worthy Cause
I recently received an e-mail from the charity “jeans for genes” introducing me to “black bone disease“, a rare genetic disease without a cure. It is more formally known as “Alkaptonuria” (OMIM entry)...
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On the other hand
The vast majority of amino acid residues that appear in peptides and proteins appear as their natural L-form enantiomer. This is the form of all amino acids as translated by the ribosome. However...
View ArticleExplicit and Implicit Hydrogens: Taking liberties with valence
The field of cheminformatics has two concepts of implicit vs. explicit when it comes to talking about hydrogen atoms. The first concept is at the internal data structure level where explicit hydrogens...
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On the other other hand
My earlier “On the other hand” blog post considered some of the issues of representing D- amino acids. In this post, I discuss the representation of amino acids with sidechain stereochemistry in...
View ArticleValidity checking antibody sequence data
NextMove Software’s Sugar & Splice product is a toolkit for handling biopolymers, including oligopeptides, oliogonucleotides and oligosaccharides (and combinations thereof). Amongst its many...
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How do I write thee? Let me count the ways
A recent posting to the CHMINF-L mailing list at the University of Indiana reiterates a point made by Steve Heller in his recent keynote address to the 2014 ICCS/GCC meeting in Noordwijkerhout. In that...
View Article背中を押すのは占い師?Match婚 2024年1月21日(日) 13:00〜16:00
占い師×マジシャン×映えスイーツ×街コン?! #福山 #出会い #出会いイベント #街コン #福山街コン #福山婚活 #Match婚 #広島街コン #広島 #広島婚活
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映画館にあるドリンクバー付き個室ラウンジで恋を見つけて #エーガル8 #福山市婚活 #婚活 #恋活 #福山市出会い #福山婚活パーティー #婚活パーティー #街コン #福山市街コン
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30代・40代のちょっと大人の婚活・恋活。世界8か国のチョコレートを使用した極上のスイーツを堪能できます。
View Article広島|50代・60代の旅行や自然好きの旅飲み会|趣味を通じて新しい友達&パートナー探し 2024年5月25日(土) 17:00〜19:00
完全個室。二時間制。飲み放題付き。席替えやります。参加者全員と会話が楽しめます。 #婚活広島 #婚活パーティー広島 #出会いイベント #シニアサークル #シニア婚活 #社会人サークル #社会人サークルアッシュ #社会人サークル広島 #広島婚活イベント
View Article40代50代『出会いイベントin広島』 2023年12月2日(土) 19:00〜21:00
40代50代の男女で集まって 気軽な感じでお話を楽しみませんか?? #飲み会 #飲み会イベント #飲み仲間 #婚活パーティー #恋活パーティー #交流会 #街コン
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