�ݺ�ߣshows by User: clipinski

�ݺ�ߣshows by User: clipinski / http://www.slideshare.net/images/logo.gif �ݺ�ߣshows by User: clipinski / Wed, 17 Dec 2014 06:03:45 GMT �ݺ�ߣShare feed for �ݺ�ߣshows by User: clipinski Lipinski in silico drug discovery durham nc 2014 /slideshow/lipinski-in-silico-drug-discovery-durham-nc-2014/42792596 lipinskiinsilicodrugdiscoverydurhamnc2014-141217060345-conversion-gate02
“Medicinal Chemistry Due Diligence: Computational Predictions of an Expert’s Evaluation of the NIH Chemical Probes”, a paper presented elsewhere at this meeting is the starting point of my story. Colleagues at Collaborative Drug Discovery were eager to see if they could mimic my medicinal chemistry evaluation of the NIH’s 308 Molecular Library Probes. As background, I had been part of a crowd-sourcing evaluation of the probes in 1969 when there were just 64 probes. In initially compiling the data which would eventually reside in machine readable form I discovered a hidden NIH spreadsheet with about two thirds of some of the data I needed. In getting the remaining data I discovered the near non-existent communication between the public world of PubChem and the proprietary world of ACS’s CAS SciFinder©. I rethought my ideas on what a drug discovery team should do when exploring freedom to operate on a new lead. I found a data dump of 5000 compounds into a US patent application from an HTS assay on the NIH’s Molecular Library compounds. I am fairly sure this led to unexpected intellectual property results for a lot of academic labs. Working on our initial computational paper I had the opportunity to put some of my favorite ideas into a second commentary-like paper with idea input from new collaborators. Ideas (especially mine) can be dangerous. What really constitutes prior art? Can disclosing too much data be a problem? Why do medicinal chemists tend to repeat the same motifs in their syntheses? What really is medicinal chemistry due diligence and how does it differ from what a biologist would do? How does medicinal chemistry due diligence tie in with target and ligand network maps and with evolution?]]>
“Medicinal Chemistry Due Diligence: Computational Predictions of an Expert’s Evaluation of the NIH Chemical Probes”, a paper presented elsewhere at this meeting is the starting point of my story. Colleagues at Collaborative Drug Discovery were eager to see if they could mimic my medicinal chemistry evaluation of the NIH’s 308 Molecular Library Probes. As background, I had been part of a crowd-sourcing evaluation of the probes in 1969 when there were just 64 probes. In initially compiling the data which would eventually reside in machine readable form I discovered a hidden NIH spreadsheet with about two thirds of some of the data I needed. In getting the remaining data I discovered the near non-existent communication between the public world of PubChem and the proprietary world of ACS’s CAS SciFinder©. I rethought my ideas on what a drug discovery team should do when exploring freedom to operate on a new lead. I found a data dump of 5000 compounds into a US patent application from an HTS assay on the NIH’s Molecular Library compounds. I am fairly sure this led to unexpected intellectual property results for a lot of academic labs. Working on our initial computational paper I had the opportunity to put some of my favorite ideas into a second commentary-like paper with idea input from new collaborators. Ideas (especially mine) can be dangerous. What really constitutes prior art? Can disclosing too much data be a problem? Why do medicinal chemists tend to repeat the same motifs in their syntheses? What really is medicinal chemistry due diligence and how does it differ from what a biologist would do? How does medicinal chemistry due diligence tie in with target and ligand network maps and with evolution?]]> Wed, 17 Dec 2014 06:03:45 GMT /slideshow/lipinski-in-silico-drug-discovery-durham-nc-2014/42792596 clipinski@slideshare.net(clipinski) Lipinski in silico drug discovery durham nc 2014 clipinski “Medicinal Chemistry Due Diligence: Computational Predictions of an Expert’s Evaluation of the NIH Chemical Probes”, a paper presented elsewhere at this meeting is the starting point of my story. Colleagues at Collaborative Drug Discovery were eager to see if they could mimic my medicinal chemistry evaluation of the NIH’s 308 Molecular Library Probes. As background, I had been part of a crowd-sourcing evaluation of the probes in 1969 when there were just 64 probes. In initially compiling the data which would eventually reside in machine readable form I discovered a hidden NIH spreadsheet with about two thirds of some of the data I needed. In getting the remaining data I discovered the near non-existent communication between the public world of PubChem and the proprietary world of ACS’s CAS SciFinder©. I rethought my ideas on what a drug discovery team should do when exploring freedom to operate on a new lead. I found a data dump of 5000 compounds into a US patent application from an HTS assay on the NIH’s Molecular Library compounds. I am fairly sure this led to unexpected intellectual property results for a lot of academic labs. Working on our initial computational paper I had the opportunity to put some of my favorite ideas into a second commentary-like paper with idea input from new collaborators. Ideas (especially mine) can be dangerous. What really constitutes prior art? Can disclosing too much data be a problem? Why do medicinal chemists tend to repeat the same motifs in their syntheses? What really is medicinal chemistry due diligence and how does it differ from what a biologist would do? How does medicinal chemistry due diligence tie in with target and ligand network maps and with evolution? <img style="border:1px solid #C3E6D8;float:right;" alt="" src="https://cdn.slidesharecdn.com/ss_thumbnails/lipinskiinsilicodrugdiscoverydurhamnc2014-141217060345-conversion-gate02-thumbnail.jpg?width=120&height=120&fit=bounds" /><br> “Medicinal Chemistry Due Diligence: Computational Predictions of an Expert’s Evaluation of the NIH Chemical Probes”, a paper presented elsewhere at this meeting is the starting point of my story. Colleagues at Collaborative Drug Discovery were eager to see if they could mimic my medicinal chemistry evaluation of the NIH’s 308 Molecular Library Probes. As background, I had been part of a crowd-sourcing evaluation of the probes in 1969 when there were just 64 probes. In initially compiling the data which would eventually reside in machine readable form I discovered a hidden NIH spreadsheet with about two thirds of some of the data I needed. In getting the remaining data I discovered the near non-existent communication between the public world of PubChem and the proprietary world of ACS’s CAS SciFinder©. I rethought my ideas on what a drug discovery team should do when exploring freedom to operate on a new lead. I found a data dump of 5000 compounds into a US patent application from an HTS assay on the NIH’s Molecular Library compounds. I am fairly sure this led to unexpected intellectual property results for a lot of academic labs. Working on our initial computational paper I had the opportunity to put some of my favorite ideas into a second commentary-like paper with idea input from new collaborators. Ideas (especially mine) can be dangerous. What really constitutes prior art? Can disclosing too much data be a problem? Why do medicinal chemists tend to repeat the same motifs in their syntheses? What really is medicinal chemistry due diligence and how does it differ from what a biologist would do? How does medicinal chemistry due diligence tie in with target and ligand network maps and with evolution?

Lipinski in silico drug discovery durham nc 2014 from Christopher Lipinski

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0 Lipinski embo chemical biology heidelberg 2014 /slideshow/lipinski-embo-chemical-biology-heidelberg-2014/42792488 lipinskiembochemicalbiologyheidelberg2014-141217060008-conversion-gate02
Three controversial topics will be discussed. On each I have something new to say and hope to provoke discussion. My topics are: medicinal chemistry due diligence; ligand selectivity and ligand efficiency; and the chemistry of the NIH Molecular Probes. I will explain why examining the literature SAR on a new lead has value even if the pre-existing chemistry literature is in a biology area totally unrelated to the current biology interest. I will explain how differences in the language of medicinal chemistry and chemical biology in a blog post led me to some interesting insights on ligand efficiency and selectivity. Finally, I will detail the story of my hunting down the chemistry of 308 NIH Molecular Library probes. And how I discovered an NIH summary spreadsheet deeply buried and hidden in an NIH website and how my hunt led me to change my ideas on what a legal non-expert should do with respect to freedom to operate early in a chemical biology - drug discovery project.]]>
Three controversial topics will be discussed. On each I have something new to say and hope to provoke discussion. My topics are: medicinal chemistry due diligence; ligand selectivity and ligand efficiency; and the chemistry of the NIH Molecular Probes. I will explain why examining the literature SAR on a new lead has value even if the pre-existing chemistry literature is in a biology area totally unrelated to the current biology interest. I will explain how differences in the language of medicinal chemistry and chemical biology in a blog post led me to some interesting insights on ligand efficiency and selectivity. Finally, I will detail the story of my hunting down the chemistry of 308 NIH Molecular Library probes. And how I discovered an NIH summary spreadsheet deeply buried and hidden in an NIH website and how my hunt led me to change my ideas on what a legal non-expert should do with respect to freedom to operate early in a chemical biology - drug discovery project.]]> Wed, 17 Dec 2014 06:00:08 GMT /slideshow/lipinski-embo-chemical-biology-heidelberg-2014/42792488 clipinski@slideshare.net(clipinski) Lipinski embo chemical biology heidelberg 2014 clipinski Three controversial topics will be discussed. On each I have something new to say and hope to provoke discussion. My topics are: medicinal chemistry due diligence; ligand selectivity and ligand efficiency; and the chemistry of the NIH Molecular Probes. I will explain why examining the literature SAR on a new lead has value even if the pre-existing chemistry literature is in a biology area totally unrelated to the current biology interest. I will explain how differences in the language of medicinal chemistry and chemical biology in a blog post led me to some interesting insights on ligand efficiency and selectivity. Finally, I will detail the story of my hunting down the chemistry of 308 NIH Molecular Library probes. And how I discovered an NIH summary spreadsheet deeply buried and hidden in an NIH website and how my hunt led me to change my ideas on what a legal non-expert should do with respect to freedom to operate early in a chemical biology - drug discovery project. <img style="border:1px solid #C3E6D8;float:right;" alt="" src="https://cdn.slidesharecdn.com/ss_thumbnails/lipinskiembochemicalbiologyheidelberg2014-141217060008-conversion-gate02-thumbnail.jpg?width=120&height=120&fit=bounds" /><br> Three controversial topics will be discussed. On each I have something new to say and hope to provoke discussion. My topics are: medicinal chemistry due diligence; ligand selectivity and ligand efficiency; and the chemistry of the NIH Molecular Probes. I will explain why examining the literature SAR on a new lead has value even if the pre-existing chemistry literature is in a biology area totally unrelated to the current biology interest. I will explain how differences in the language of medicinal chemistry and chemical biology in a blog post led me to some interesting insights on ligand efficiency and selectivity. Finally, I will detail the story of my hunting down the chemistry of 308 NIH Molecular Library probes. And how I discovered an NIH summary spreadsheet deeply buried and hidden in an NIH website and how my hunt led me to change my ideas on what a legal non-expert should do with respect to freedom to operate early in a chemical biology - drug discovery project.

Lipinski embo chemical biology heidelberg 2014 from Christopher Lipinski

]]> 860 3 https://cdn.slidesharecdn.com/ss_thumbnails/lipinskiembochemicalbiologyheidelberg2014-141217060008-conversion-gate02-thumbnail.jpg?width=120&height=120&fit=bounds presentation Black http://activitystrea.ms/schema/1.0/post

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0 Lipinski Jmrc Lecture1 Nov2008 /clipinski/lipinski-jmrc-lecture1-nov2008-presentation lipinskijmrclecture1nov2008-1229096362885005-1
"Academic drug discovery: the chemistry challenges of target choice and screening library selection" presented as lecture 1 of a distinguished lectureship for the Jagiellonian Medical Research Centre, Krakow Poland, Nov 6, 2008 and sponsored by the Kosciuszko Foundation NY.]]>
"Academic drug discovery: the chemistry challenges of target choice and screening library selection" presented as lecture 1 of a distinguished lectureship for the Jagiellonian Medical Research Centre, Krakow Poland, Nov 6, 2008 and sponsored by the Kosciuszko Foundation NY.]]> Fri, 12 Dec 2008 07:46:03 GMT /clipinski/lipinski-jmrc-lecture1-nov2008-presentation clipinski@slideshare.net(clipinski) Lipinski Jmrc Lecture1 Nov2008 clipinski "Academic drug discovery: the chemistry challenges of target choice and screening library selection" presented as lecture 1 of a distinguished lectureship for the Jagiellonian Medical Research Centre, Krakow Poland, Nov 6, 2008 and sponsored by the Kosciuszko Foundation NY. <img style="border:1px solid #C3E6D8;float:right;" alt="" src="https://cdn.slidesharecdn.com/ss_thumbnails/lipinskijmrclecture1nov2008-1229096362885005-1-thumbnail.jpg?width=120&height=120&fit=bounds" /><br> "Academic drug discovery: the chemistry challenges of target choice and screening library selection" presented as lecture 1 of a distinguished lectureship for the Jagiellonian Medical Research Centre, Krakow Poland, Nov 6, 2008 and sponsored by the Kosciuszko Foundation NY.

Lipinski Jmrc Lecture1 Nov2008 from Christopher Lipinski

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0 https://cdn.slidesharecdn.com/profile-photo-clipinski-48x48.jpg?cb=1522809393 Medicinal chemistry expert witness in business and Hatch Waxman patent litigation. Nine cases deposition or beyond. 32 years Pfizer research experience, retired in 2002. 11 years (2002 to date) independent contractor (Christopher A. Lipinski, Ph.D., LLC.) 10 Connshire Drive, Waterford, CT 06385, 860 326-0633. Expert on bioisosterism and bioisosteres. Multiple bioisostere publications. Expert on druggability rules and filters, eg. rule of five author. Member of the ACS “Medicinal Chemistry Hall of Fame”. 2006 honorary law degree from the University of Dundee; 2006 SBS Achievement Award winner; 2005 ACS winner of the E. B. Hershberg Award for Important Discoveries in Medicinally Acti... myprofile.cos.com/lipinskica https://cdn.slidesharecdn.com/ss_thumbnails/lipinskiinsilicodrugdiscoverydurhamnc2014-141217060345-conversion-gate02-thumbnail.jpg?width=320&height=320&fit=bounds slideshow/lipinski-in-silico-drug-discovery-durham-nc-2014/42792596 Lipinski in silico dru... https://cdn.slidesharecdn.com/ss_thumbnails/lipinskiembochemicalbiologyheidelberg2014-141217060008-conversion-gate02-thumbnail.jpg?width=320&height=320&fit=bounds slideshow/lipinski-embo-chemical-biology-heidelberg-2014/42792488 Lipinski embo chemical... https://cdn.slidesharecdn.com/ss_thumbnails/lipinskijmrclecture1nov2008-1229096362885005-1-thumbnail.jpg?width=320&height=320&fit=bounds clipinski/lipinski-jmrc-lecture1-nov2008-presentation Lipinski Jmrc Lecture1...