Comments for The ChemConnector Blog by Antony Williams http://www.chemconnector.com/chemunicating Observations and Musings for the Chemistry Community By Antony Williams, Freelance Scientist Sat, 21 Aug 2010 13:03:39 +0000 hourly 1 http://wordpress.org/?v=3.0.1 Comment on American Chemical Society Loses the Appeal Against the Leadscope Case by Dan Eustac http://www.chemconnector.com/chemunicating/american-chemical-society-loses-the-appeal-against-the-leadscope-case.html#comment-823 Dan Eustac Sat, 21 Aug 2010 13:03:39 +0000 http://www.chemconnector.com/chemunicating/?p=110#comment-823 There is a major technological revolution going on in the publication world. Your entry puts the onus on leadership and management of the society to recognize this and adapt. Having been part of an organization that went bankrupt due to changing conditions and an inability to recognize and adjust, this entry needs to be seen and acted upon in the ACS. I will use this as an example of unintended consequences of following the party line. Where in the 1960s-80s the ACS policy could have been realistic. In the 21st century it has much less bearing on actions and behaviors. Partnering, the economy of free, understanding the impact of scale free networks and other fast-moving trends need to be adapted to for survival. I commend your entry. Dan There is a major technological revolution going on in the publication world.

Your entry puts the onus on leadership and management of the society to recognize this and adapt. Having been part of an organization that went bankrupt due to changing conditions and an inability to recognize and adjust, this entry needs to be seen and acted upon in the ACS.

I will use this as an example of unintended consequences of following the party line. Where in the 1960s-80s the ACS policy could have been realistic. In the 21st century it has much less bearing on actions and behaviors. Partnering, the economy of free, understanding the impact of scale free networks and other fast-moving trends need to be adapted to for survival.

I commend your entry.
Dan

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Comment on American Chemical Society Loses the Appeal Against the Leadscope Case by Kirill Degtyarenko http://www.chemconnector.com/chemunicating/american-chemical-society-loses-the-appeal-against-the-leadscope-case.html#comment-810 Kirill Degtyarenko Mon, 21 Jun 2010 14:06:20 +0000 http://www.chemconnector.com/chemunicating/?p=110#comment-810 With obscene level of salaries for CAS/ACS top cheeses, I find it difficult to understand how they still qualify for their "not-for-profit status"... CAS behaviour towards its competitors is not much different from Microsoft's. Sorry for naive question: is there some sort of democratic mechanism in ACS which can eventually lead to change? I understand people who've left ACS - who wants their membership dues to be spent on lawsuits? With obscene level of salaries for CAS/ACS top cheeses, I find it difficult to understand how they still qualify for their “not-for-profit status”… CAS behaviour towards its competitors is not much different from Microsoft’s.

Sorry for naive question: is there some sort of democratic mechanism in ACS which can eventually lead to change? I understand people who’ve left ACS – who wants their membership dues to be spent on lawsuits?

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Comment on Optical Structure Recognition, Solubility Prediction and Neutral Parties by John Mitchell http://www.chemconnector.com/chemunicating/optical-structure-recognition-solubility-prediction-and-neutral-parties.html#comment-807 John Mitchell Wed, 19 May 2010 16:16:37 +0000 http://www.chemconnector.com/chemunicating/?p=50#comment-807 The solubilities used in the challenge were determined as part of a Pfizer-funded project, but that work would have been done anyway, so there was little if any marginal cost to them. The Journal of Chemical Information and Modeling supported the challenge, publishing the two papers and carrying out most of the administration. Possibly a weakness of the challenge was the lack of a prior agreement as to the method of judging entries. Secondly, entrants didn't reveal their methods, so it told us little about which techniques work best. Similar blind prediction challenges have been carried out regularly in the field of computational organic crystal structure prediction, hosted by the CSD and published by Acta Cryst. Such challenges are in my opinion a very good idea and bring a measure of independence to the assessment of different software and methodologies. The solubilities used in the challenge were determined as part of a Pfizer-funded project, but that work would have been done anyway, so there was little if any marginal cost to them. The Journal of Chemical Information and Modeling supported the challenge, publishing the two papers and carrying out most of the administration.

Possibly a weakness of the challenge was the lack of a prior agreement as to the method of judging entries. Secondly, entrants didn’t reveal their methods, so it told us little about which techniques work best.

Similar blind prediction challenges have been carried out regularly in the field of computational organic crystal structure prediction, hosted by the CSD and published by Acta Cryst.

Such challenges are in my opinion a very good idea and bring a measure of independence to the assessment of different software and methodologies.

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Comment on FPGAs, GPUs and now the Cell Processor – A Call for Comments by resume http://www.chemconnector.com/chemunicating/fpgas-gpus-and-now-the-cell-processor-a-call-for-comments.html#comment-792 resume Thu, 04 Mar 2010 09:09:19 +0000 http://www.chemconnector.com/chemunicating/?p=19#comment-792 The first major commercial application of Cell was in Sony's PlayStation 3 game console. Mercury Computer Systems has a dual Cell server, a dual Cell blade configuration, a rugged computer, and a PCI Express accelerator board available in different stages of production. Toshiba has announced plans to incorporate Cell in high definition television sets. Exotic features such as the XDR memory subsystem and coherent Element Interconnect Bus (EIB) interconnect appear to position Cell for future applications in the supercomputing space to exploit the Cell processor's prowess in floating point kernels. IBM has announced plans to incorporate Cell processors as add-on cards into IBM System z9 mainframes, to enable them to be used as servers for MMORPGs. The first major commercial application of Cell was in Sony’s PlayStation 3 game console. Mercury Computer Systems has a dual Cell server, a dual Cell blade configuration, a rugged computer, and a PCI Express accelerator board available in different stages of production. Toshiba has announced plans to incorporate Cell in high definition television sets. Exotic features such as the XDR memory subsystem and coherent Element Interconnect Bus (EIB) interconnect appear to position Cell for future applications in the supercomputing space to exploit the Cell processor’s prowess in floating point kernels. IBM has announced plans to incorporate Cell processors as add-on cards into IBM System z9 mainframes, to enable them to be used as servers for MMORPGs.

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Comment on Dedicating Christmas Time to the Cause of Curating Wikipedia by The Connector of Open Science: A Talk With Antony Williams of ChemSpider « Significant Science http://www.chemconnector.com/chemunicating/dedicating-christmas-time-to-the-cause-of-curating-wikipedia.html#comment-790 The Connector of Open Science: A Talk With Antony Williams of ChemSpider « Significant Science Sat, 09 Jan 2010 17:28:27 +0000 http://www.chemconnector.com/chemunicating/dedicating-christmas-time-to-the-cause-of-curating-wikipedia.html#comment-790 [...] best overview about starting the work was written almost two years ago now. What was initiated after a conversation with Martin Walker [...] [...] best overview about starting the work was written almost two years ago now. What was initiated after a conversation with Martin Walker [...]

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Comment on FPGAs, GPUs and now the Cell Processor – A Call for Comments by f1r31c3r http://www.chemconnector.com/chemunicating/fpgas-gpus-and-now-the-cell-processor-a-call-for-comments.html#comment-789 f1r31c3r Thu, 03 Dec 2009 22:14:58 +0000 http://www.chemconnector.com/chemunicating/?p=19#comment-789 mmm gpu, cell and fpga. gpu processors are very fast due to the comercial amount of funding, the race is on to get faster and faster. The cell processor is a very interesting processor but IBM has made it so hard to get a hold of in the market outside of what they want to sell it to. The cell processor is just not available enough for it to be productive, to be honest looking at the price of intel processors there not even viable anymore. At a cost of £1100.00/processor its stupid cost for that performance at that price. FPGA offer such and amazing attractive package in 45nm and 40nm silicon metal gate providing much faster more density and amazing configurations to a developer and scientific persons. Above all reconfigurable and debuged to any spacific solution allowing outside the box development. The keys to the farrari are in the users hands. With FPGA configurations data protocols are as fast as 100gbs and can be configured as and when needed, power modes can be configured as needed, processor cores added how ever many you want within constraint of the transistor limit of course. Powerfull SPU's that the cell processor run on can be designed and programed by the user on an FPGA unlike being stuck with n amount n type. GPU technology will always be fast its the high amount of funding research development teams not to mention the creative engineers who design these processors. They will always design more and more in this field as they get paid high, very high wages. Yes money fuels this area more than others. Scalability is a very important part in this field but flexability is far more important, something intel, ibm and others seem to have forgoten about. I must add that sun micropsystems have paid attention to this area well mind you so one of them understand. mmm gpu, cell and fpga. gpu processors are very fast due to the comercial amount of funding, the race is on to get faster and faster. The cell processor is a very interesting processor but IBM has made it so hard to get a hold of in the market outside of what they want to sell it to.

The cell processor is just not available enough for it to be productive, to be honest looking at the price of intel processors there not even viable anymore. At a cost of £1100.00/processor its stupid cost for that performance at that price.

FPGA offer such and amazing attractive package in 45nm and 40nm silicon metal gate providing much faster more density and amazing configurations to a developer and scientific persons. Above all reconfigurable and debuged to any spacific solution allowing outside the box development. The keys to the farrari are in the users hands.
With FPGA configurations data protocols are as fast as 100gbs and can be configured as and when needed, power modes can be configured as needed, processor cores added how ever many you want within constraint of the transistor limit of course. Powerfull SPU’s that the cell processor run on can be designed and programed by the user on an FPGA unlike being stuck with n amount n type.

GPU technology will always be fast its the high amount of funding research development teams not to mention the creative engineers who design these processors. They will always design more and more in this field as they get paid high, very high wages. Yes money fuels this area more than others.

Scalability is a very important part in this field but flexability is far more important, something intel, ibm and others seem to have forgoten about. I must add that sun micropsystems have paid attention to this area well mind you so one of them understand.

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Comment on Beautifying Data in the Real World: Beautiful Data and O’Reilly by Copy of Beautiful Data Chapter Now Available Online at The ChemConnector Blog by Antony Williams - Observations and Musings for the Chemistry Community By Antony Williams, Freelance Scientist http://www.chemconnector.com/chemunicating/beautifying-data-in-the-real-world-beautiful-data-and-oreilly.html#comment-764 Copy of Beautiful Data Chapter Now Available Online at The ChemConnector Blog by Antony Williams - Observations and Musings for the Chemistry Community By Antony Williams, Freelance Scientist Wed, 29 Jul 2009 03:04:46 +0000 http://www.chemconnector.com/chemunicating/?p=96#comment-764 [...] previously blogged about the book chapter I co-authored for a book about Beautiful Data. The book chapter is now [...] [...] previously blogged about the book chapter I co-authored for a book about Beautiful Data. The book chapter is now [...]

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Comment on Chemical Information Mining Book – A Moment of Pride by A Nice Review of Our Recent Book Chapter on Nomenclature at The ChemConnector Blog by Antony Williams - Observations and Musings for the Chemistry Community By Antony Williams, Freelance Scientist http://www.chemconnector.com/chemunicating/chemical-information-mining-book-a-moment-of-pride.html#comment-754 A Nice Review of Our Recent Book Chapter on Nomenclature at The ChemConnector Blog by Antony Williams - Observations and Musings for the Chemistry Community By Antony Williams, Freelance Scientist Mon, 06 Jul 2009 04:55:45 +0000 http://www.chemconnector.com/chemunicating/?p=62#comment-754 [...] year I co-authored a book chapter in a book regarding Chemical Information Mining. A recent review for the book was recently written by Peter Willett and it was nice to get a good [...] [...] year I co-authored a book chapter in a book regarding Chemical Information Mining. A recent review for the book was recently written by Peter Willett and it was nice to get a good [...]

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Comment on Dedicating Christmas Time to the Cause of Curating Wikipedia by Virscidian » Blog Archive » Chemspider gets a “Chemical Royal seal of approval” – RSC acquires Chemspider http://www.chemconnector.com/chemunicating/dedicating-christmas-time-to-the-cause-of-curating-wikipedia.html#comment-726 Virscidian » Blog Archive » Chemspider gets a “Chemical Royal seal of approval” – RSC acquires Chemspider Thu, 14 May 2009 16:45:40 +0000 http://www.chemconnector.com/chemunicating/dedicating-christmas-time-to-the-cause-of-curating-wikipedia.html#comment-726 [...] for scientists globally. His investment personally has been immense with long hours invested in structural curation in the world of chemistry for Wikipedia and for Chemspider as a whole. Whereas, many structural [...] [...] for scientists globally. His investment personally has been immense with long hours invested in structural curation in the world of chemistry for Wikipedia and for Chemspider as a whole. Whereas, many structural [...]

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Comment on The Curation of Almost 5000 Structures on Wikipedia by ChemSpider Blog » Blog Archive » Providing Some Structured Support with ChemSpider’s Wikipedia Services http://www.chemconnector.com/chemunicating/the-curation-of-almost-5000-structures-on-wikipedia.html#comment-722 ChemSpider Blog » Blog Archive » Providing Some Structured Support with ChemSpider’s Wikipedia Services Mon, 13 Apr 2009 04:54:13 +0000 http://www.chemconnector.com/chemunicating/the-curation-of-almost-5000-structures-on-wikipedia.html#comment-722 [...] is great. I use it regularly. I’ve been working, with a team of experts, on curating and validating the “structure-based data” in the ChemBoxes and DrugBoxes for almost a year and a half. It’s been a long path and on the [...] [...] is great. I use it regularly. I’ve been working, with a team of experts, on curating and validating the “structure-based data” in the ChemBoxes and DrugBoxes for almost a year and a half. It’s been a long path and on the [...]

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