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Andrew Lang › Likes

Daniel Mietchen
University of New Mexico just missed an opportunity to be ahead of the curve - http://www.science3point0.com/evomri...
Steve Koch, one of the most active practitioners of open science, announced today that he has not been awarded tenure, despite the considerable support he had received from the global open science community. He accompanied his announcement with an open … Continue reading → - Daniel Mietchen
So true! - Björn Brembs
Daniel, do these science3point0 posts still exist anywhere? Google is not finding this one. - Chris M
Cameron Neylon
Piece from me in Nature on #openaccess and licensing and the RCUK policy: http://t.co/hlNnrniQ (should be free to access)
Expecting extensive abuse from the usual quarters in 3....2.....1...... - Cameron Neylon
Yeh, I did what I could but no CC BY license.... - Cameron Neylon
...nah no worries. The fee is going to Creative Commons... - Cameron Neylon
Noel O'Boyle
Enantiopure PZQ
Advice Needed: Generation of Analogues in the Thienopyrimidine Series - http://www.thesynapticleap.org/node...
Community  malaria research community Subject  Results, Request for Help, Project Fork Seasons greetings all. This is the December 2012 update from my side of the Todd lab. I have finished my honours project and submitted my thesis to obtain Hons I - which is highly pleasing - and I'm back for a period of time to assist the Todd group and their antimalarial project. Specifically, I hope to generate a variety of analogues of the hit compound within the aminothienopyrimidine series (Figure 1)
Noel O'Boyle
Egon Willighagen
A Survey of Quantitative Descriptions of Molecular Structure. - http://www.citeulike.org/user...
Current topics in medicinal chemistry (25 October 2012) Numerical characterization of molecular structure is a first step in many computational analysis of chemical structure data. These numerical representations, termed descriptors, come in many forms, ranging from simple atom counts and invariants of the molecular graph to distribution of properties, such as charge, across a molecular surface. In this article we first present a broad categorization of descriptors and then describe applications and toolkits that can be employed to evaluate them. We highlight a number of issues surrounding molecular descriptor calculations such as versioning and reproducibility and describe how some toolkits have attempted to address these problems. Rajarshi Guha, Egon Willighagen - Egon Willighagen
David Bradley
Simple salt removal to get fresh water - http://www.rsc.org/chemist...
Simple desalination. Scientists in the US have developed a membrane-free, solvent extraction method to remove salt from seawater that works at low temperatures. - David Bradley
great practical application of solubility data - Jean-Claude Bradley
Do you know where I can find more info on this solvent extraction process? - Scott Taylor from Android
Enantiopure PZQ
Where are we up to? We've been busy working on the synthesis of the ten 'final' aryl pyrrole compounds chosen after the consultation in July.  This post is a brief summary of the current project status to let people know where we are up to and which compounds we still need to conquer.   So here we go:
What number is compound SB in the spreadsheet? e.g. OSM-S-02 - Andrew Lang
Jean-Claude Bradley
Open Notebook Science by Matt McBride at ACS - http://www.youtube.com/watch...
Open Notebook Science by Matt McBride at ACS
Play
Bill Hooker
Russell's Blog -- Why doesn't your lab have a 3D printer yet? - http://vort.org/2012...
Tags: 3Dprinting resources - Bill Hooker
Rajarshi Guha
fascinating writeup on a girl who doesn't feel #pain #ionchannel. http://www.nytimes.com/2012...
Antony Williams
Structure verification and elucidation using the ChemSpider database on @slideshare http://www.slideshare.net/AntonyW...
Jean-Claude Bradley
Matthew McBride wins Nov 2012 ONS Challenge Award - http://usefulchem.blogspot.com/2012...
Antony Williams
My latest upload : Connecting Chemistry Across the Internet Using… on @slideshare http://www.slideshare.net/AntonyW...
Antony Williams
Along ‘Chem’ a Spider | iSGTW http://www.isgtw.org/spotlig...
Antony Williams
Open access initiative reveals drug hits for deadly neglected... http://www.mmv.org/newsroo...
Rajarshi Guha
Lilly med chem filters (http://pubs.acs.org/action...) available as a convenient web page http://tripod.nih.gov/lmcf/
why no web service? - Andrew Lang
this was just a quick thing I put together. If it's useful we can wrap it in a WS - Rajarshi Guha
, POST to http://tripod.nih.gov/py... with a form parameter called queryids containing the SMILES - Rajarshi Guha
Andrew, it's a web form... those are the REST services of the nineties :) - Egon Willighagen
Back on the nineties, I developed something called DADML -> Database Access Description Markup Language (seriously :).... and converted web forms into URLs with parameters... worked like a charm. - Egon Willighagen
Andrew, it should be: http://tripod.nih.gov/py... But mind you, it gives a Internal Server Error now :) Both this link *and* the form :) - Egon Willighagen
actually, its fine: need to POST. And smiles must be of the form SMI MOL_NAME - Rajarshi Guha
Thanks Rajarshi. I added it to our mobile app: http://lxsrv7.oru.edu/~alang... When does is 'fail'? score > 100? - Andrew Lang
I think you'd need to check with Ian Watson on the details of the numbers - Rajarshi Guha
Thanks Rajarshi - I emailed him and he said 100+ is rejected - Andrew Lang
Jean-Claude Bradley
Nuit de la Liberté - Science Ouverte avec Jean-Claude Bradley - http://www.youtube.com/watch...
Nuit de la Liberté - Science Ouverte avec Jean-Claude Bradley
Play
Noel O'Boyle
Plotting accesses on the axis Part III - http://baoilleach.blogspot.com/2012...
Egon Willighagen
What online services support InChI and REST? - http://chem-bla-ics.blogspot.com/2012...
Rajarshi Guha
access Lilly med chem filter (http://pubs.acs.org/doi...) via POST requests http://tripod.nih.gov/?p=418
Noel O'Boyle
A non-random method to improve your QSAR results - works every time! Part II - http://baoilleach.blogspot.com/2012...
Bill Hooker
Cameron Neylon
Talking at Virginia Tech in (I think!) half an hour so 1730 EST. Live stream will be here: http://www.ustream.tv/channel... #VTDIRF12
Antony Williams
Last night I won the Jim Gray eScience Award from Microsoft Research. I am proud and off to deliver on the commitments http://www.chemconnector.com/2012...
Congrats! - Noel O'Boyle
Egon Willighagen
CDK 1.5.1: the changes, the authors, and the reviewers - http://chem-bla-ics.blogspot.com/2012...
Peter Miller
RT @MariaKorolov: Daden announces 3d data visualization contest http://networkedblogs.com/CWCUP
Jean-Claude Bradley
Chemical Information Retrieval Class 1 - http://www.slideshare.net/jcbradl...
Chemical Information Retrieval Class 1
Enantiopure PZQ
First research update: Introductions, arrylpyrroles and sulfonates. - http://www.thesynapticleap.org/node...
Community  malaria research community Subject  Results, Request for Help Hello all, I just wanted to introduce myself, I'm Matin and I started at the Todd lab in Sydney at the end of July and after 2 months I'm doing my first update on Synaptic Leap, I'll be talking about experiments which have been recorded in my lab book which can be found here.
Jean-Claude Bradley
Watching now... audio is a bit tinny, sounds like you ran your voice through a vocoder. :-) - Bill Hooker
Actually the audio's pretty bad, it sort of cuts in and out. - Bill Hooker
Very neat app, and an excellent "poster child" for openness. - Bill Hooker
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