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Cheminformatics 2.0 – A blog about chemical information software for next generation computing environments.

A blog about chemical information software for next generation computing environments.

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Alex Clark

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Mon●●●eal , Quebec, H3J2S1

CA

1.51●●●●2328
ac●●●●●●●●@gmail.com

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Molecular Materials Informatics, Inc.

Alex Clark

1900 St●●●●●●●es #302

Mon●●●eal , Quebec, H3J2S1

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ac●●●●●●●●@gmail.com

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Cheminformatics 2.0 – A blog about chemical information software for next generation computing environments. | cheminf20.org Reviews
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Cheminformatics 2.0 – A blog about chemical information software for next generation computing environments. | cheminf20.org Reviews

https://cheminf20.org

A blog about chemical information software for next generation computing environments.

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XMDS and dragging content into other Mac apps | Cheminformatics 2.0

https://cheminf20.org/2015/05/14/xmds-and-dragging-content-into-other-mac-apps

A blog about chemical information software for next generation computing environments. Laquo; Summer conference schedule. Honeycomb clustering in Approved Drugs app: sneak preview. XMDS and dragging content into other Mac apps. One of the things that one must become accustomed to when using a Mac regularly is that drag’n’drop is actually an effective way to get real work done. Two main use case scenarios are considered: getting graphics images of molecules into presentation tools (e.g. The tool is entitl...

2

Archives | Cheminformatics 2.0

https://cheminf20.org/archives

A blog about chemical information software for next generation computing environments. BioAssay Express (a bit of an unveil). An overdue status update. Reaction similarity searching with MolSync. MolSync reaction searching: atom mapping. MolSync reaction searching: basic pieces in place. MolSync site with visual overhaul. MolSync web structure searching. MolSync overhaul: back to the web, now with reactions too. XMDS experiments: quantities, metrics and SVG. Minor side project: PDFBoxLite. Honeycomb clus...

3

Summer conference schedule | Cheminformatics 2.0

https://cheminf20.org/2015/05/12/summer-conference-schedule

A blog about chemical information software for next generation computing environments. Laquo; Medicinal Chemistry Toolkit app, now with structures and calculations. XMDS and dragging content into other Mac apps. I’ve been out of the spotlight for awhile as far as scientific conferences go, but this summer-of-2015 it’s all back in form, with three in a month long window:. 12-14 July: Green Chemistry and Engineering. 19-24 July: Gordon Research Conference/ Computer Aided Drug Design. Enter your comment here.

4

Dr. Alex M. Clark | Cheminformatics 2.0

https://cheminf20.org/author/aclarkxyz

A blog about chemical information software for next generation computing environments. Dr Alex M. Clark. Founder of Molecular Materials Informatics, cheminformatics/computational chemistry practitioner, former synthetic inorganic chemist, and frequent homebrewer. Homepage: http:/ molmatinf.com. BioAssay Express (a bit of an unveil). It’s time to start writing about the BioAssay Express. An overdue status update. Journal of Chemical Information and Modeling. Cover page, for an article driven by Sean Ekins.

5

Uncategorized | Cheminformatics 2.0

https://cheminf20.org/category/uncategorized

A blog about chemical information software for next generation computing environments. Archive for category Uncategorized. BioAssay Express (a bit of an unveil). Posted by Dr. Alex M. Clark. It’s time to start writing about the BioAssay Express. An overdue status update. Posted by Dr. Alex M. Clark. It’s been awhile since I posted, but this welcome gift shown to the right reminded me to do so: one of the outputs from the honeycomb clustering algorithm is featured on the. MolSync site with visual overhaul.

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MariaGairos--DRUGS | MY BLOG ON DRUGS | Page 2

https://mariagairos.wordpress.com/page/2

MY BLOG ON DRUGS. Medicinal Chemistry International: FILIBUVIR. December 31, 2013. Medicinal Chemistry International: FILIBUVIR. Http:/ drugsynthesisint.blogspot.in/p/vir-series-hep-c-virus-22.html. Http:/ medcheminternational.blogspot.in/p/vir-series-hep-c-virus.html. PF-868554 is an anti-hepatitis C drug candidate which had been in phase II clinical trials at Pfizer; however this research has been discontinued. Li, H; Tatlock, J. Linton, A. et al. J Med Chem 2009, 52(5): 1255. 5,163 more words. R)-5-[(...

labsolutely.org labsolutely.org

Links - Labsolutely

http://www.labsolutely.org/links

Wandering in the Lab (Beta 0.3). That’s my sunday morning reading (in a kind of alphabetic order):. Chemistry is the Answer. McSweeney’s Internet Tendency. Try This at Home. Leave a Reply Cancel reply. My wanders on Twitter. CoverTime: may the cubane be with you. Fear of the Duck. Microfluidics Galore (and ranting). ISMSC 2015 – Strasbourg. For a fistful of pics. American Dad’s chemistry. Videogames and science #2 “Dying Light”. Pics] For Your Chemists: HCL: I Choose You! On CoverTime: 80s vs 90s.

justlikecooking.blogspot.com justlikecooking.blogspot.com

Just Like Cooking: May 2015

http://justlikecooking.blogspot.com/2015_05_01_archive.html

Molecular Rapscallion since Twenty Eleven. Tuesday, May 19, 2015. Regular readers know that I've been collecting names of chemistry faculty moves. For a while now. I had to chuckle at this particular announcement, by friend of the blog. Prof Karl Gademann. From two clicks deep on his group's home page. Thanks to an eagle-eyed commenter for the link. Also, from both sites ( UZH. It would appear that Dr. Gademann looks most professional when posed behind a rotovap condenser. Monday, May 4, 2015. The lab in...

mariagairos.wordpress.com mariagairos.wordpress.com

Mom will teach you NMR | MariaGairos--DRUGS

https://mariagairos.wordpress.com/2014/07/27/mom-will-teach-you-nmr

MY BLOG ON DRUGS. Mom will teach you NMR. July 27, 2014. Dedicated to all moms in the world. ETHYL PROPIONATE NMR, carbonyl is dad and oxygen mom, a methyl gets more attention. ORIGINALLY IN http:/ orgspectroscopyint.blogspot.in/2014/07/ethyl-propionate-nmr-carbonyl-is-dad.html. C=O group is dad. O atom is mom. Carbonyl is dad and oxygen mom hence c labelled methyl has higher chemical shift and gets a little more attention. A chemical has Formula: C. Rule 2, omit O, gives C. 5 10/2 1 = 1. July 27, 2014.

mariagairos.wordpress.com mariagairos.wordpress.com

MARIZOMIB, Salinosporamide A | MariaGairos--DRUGS

https://mariagairos.wordpress.com/2013/12/31/marizomib-salinosporamide-a

MY BLOG ON DRUGS. MARIZOMIB, Salinosporamide A. December 31, 2013. Http:/ www.ama-assn.org/resources/doc/usan/marizomib.pdf. 1 6-Oxa-2-azabicyclo[3.2.0]heptane-3,7-dione, 4-(2-chloroethyl)-1-[(S)-(1S)-2-. Cyclohexen-1-ylhydroxymethyl]-5-methyl-, (1R,4R,5S)-. 2 (1R,4R,5S)-4-(2-chloroethyl)-1-{(S)-[(1S)-cyclohex-2-en-1-yl]hydroxymethyl}-5-methyl-. 6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione. MOLECULAR WEIGHT 313.8. MANUFACTURER Nereus Pharmaceuticals, Inc. CAS REGISTRY NUMBER 437742-34-2. 2003, 42, 355 357);.

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Italy’s Newron files Parkinson’s drug with FDA | MariaGairos--DRUGS

https://mariagairos.wordpress.com/2014/06/01/italys-newron-files-parkinsons-drug-with-fda

MY BLOG ON DRUGS. Italy’s Newron files Parkinson’s drug with FDA. June 1, 2014. Newron Pharmaceuticals and fellow Italy-headquartered partner Zambon have filed their investigational Parkinson’s disease treatment safinamide with regulators in the USA. Read more at: http:/ www.pharmatimes.com/Article/14-05-30/Italy s Newron files Parkinson s drug with FDA.aspx#ixzz33LlGLEt7. 133865-89-1, Fce 26743, AC1L2ZLK, CHEMBL396778, MolPort-005-942-375,. Is a candidate drug against Parkinson’s disease. You are commen...

mariagairos.wordpress.com mariagairos.wordpress.com

Efficient and selective copper-catalyzed organic solvent-free and biphasic oxidation of aromatic gem-disubstituted alkenes to carbonyl compounds by tert-butyl hydroperoxide at room temperature | MariaGairos--DRUGS

https://mariagairos.wordpress.com/2014/06/01/efficient-and-selective-copper-catalyzed-organic-solvent-free-and-biphasic-oxidation-of-aromatic-gem-disubstituted-alkenes-to-carbonyl-compounds-by-tert-butyl-hydroperoxide-at-room-temperature

MY BLOG ON DRUGS. Efficient and selective copper-catalyzed organic solvent-free and biphasic oxidation of aromatic gem-disubstituted alkenes to carbonyl compounds by tert-butyl hydroperoxide at room temperature. June 1, 2014. Efficient and selective copper-catalyzed organic solvent-free and biphasic oxidation of aromatic gem-disubstituted alkenes to carbonyl compounds by tert-butyl hydroperoxide at room temperature. Md Munkir Hossain, Wei-Kai Huang, Hung-Jie Chen, Pei-Han Wang, Shin-Guang Shyu. Fill in y...

mariagairos.wordpress.com mariagairos.wordpress.com

Linsitinib » All About Drugs | MariaGairos--DRUGS

https://mariagairos.wordpress.com/2013/12/31/linsitinib-all-about-drugs

MY BLOG ON DRUGS. Linsitinib All About Drugs. December 31, 2013. Linsitinib All About Drugs. Fedratinib All About Drugs. MARIZOMIB, Salinosporamide A →. Leave a Reply Cancel reply. Enter your comment here. Fill in your details below or click an icon to log in:. Address never made public). You are commenting using your WordPress.com account. ( Log Out. You are commenting using your Twitter account. ( Log Out. You are commenting using your Facebook account. ( Log Out. Notify me of new comments via email.

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Medicinal Chemistry International: FILIBUVIR | MariaGairos--DRUGS

https://mariagairos.wordpress.com/2013/12/31/medicinal-chemistry-international-filibuvir

MY BLOG ON DRUGS. Medicinal Chemistry International: FILIBUVIR. December 31, 2013. Medicinal Chemistry International: FILIBUVIR. Http:/ drugsynthesisint.blogspot.in/p/vir-series-hep-c-virus-22.html. Http:/ medcheminternational.blogspot.in/p/vir-series-hep-c-virus.html. PF-868554 is an anti-hepatitis C drug candidate which had been in phase II clinical trials at Pfizer; however this research has been discontinued. Li, H; Tatlock, J. Linton, A. et al. J Med Chem 2009, 52(5): 1255. 5,163 more words. You are...

medchemabraham.wordpress.com medchemabraham.wordpress.com

November | 2015 | Medicinal.Chem.AbrahamThomas

https://medchemabraham.wordpress.com/2015/11

Med Chem blog by Abraham Thomas. Monthly Archives: November 2015. Design, Synthesis, and Pharmacological Evaluation of 5,6-Disubstituted Pyridin-2(1H)-one Derivatives as Phosphodiesterase 10A (PDE10A) Antagonists. November 5, 2015. We report the design and synthesis of novel 5,6-diarylated pyridin-2(1 H. One derivatives as pharmacophoric PDE10A inhibitors. This highly potent molecular scaffold was developed from an inactive diarylpyridine-2-amine derivative 3b. As a lead compound with good potency (IC.

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