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ChEMBL webinar - Interface & Searching (Japanese)

Order: Reorder
Duration: 46:24
Updated: 18 Sep 2012

This webinar, given in Japanese, will give you an overview of how to use ChEMBL, a database of bioactive small molecules. It will guide you step by step through the interface and searching tools.

http://wn.com/ChEMBL_webinar_Interface_Searching_Japanese

What is the Chemical Structure of Vitamin K?

Order: Reorder
Duration: 7:28
Updated: 08 Jan 2011

Determining the CORRECT chemical structure associated with a chemical name is a major challenge using online Public Domain databases. Using Vitamin K as an example Antony Williams shows how finding the correct chemical structure can be a major challenge. Wikipedia has it wrong. PubChem has 10 chemicals called Vitamin K1. Most other public domain databases have it wrong including Wolfram Alpha, DrugBank and KEGG. Congrats to ChEMBL and ChemSpider for having it right. This confirmation uses the assertion that the structure cited in the Merck Index and CAS's Common Chemistry is correct.

http://wn.com/What_is_the_Chemical_Structure_of_Vitamin_K?

How Molecular Fragments Allow us to Explore Large Chemical Spaces - Rajarshi Guha (NIH)

Order: Reorder
Duration: 28:35
Updated: 16 Jan 2012

Molecular fragments are ubiquitous in both experimental and computational chemistry. In many ways, fragments can be considered to be the n-grams of chemistry, allowing us to capture and explore structure-activity trends in large chemical collections. In this talk I will discuss how fragments play a key role in the analysis of HTS data at the NCTT as well as how we make use of fragments to explore bioactivity data across multiple targets and target families, focusing on the ChEMBL database. Some applications that I will discuss include searching for privileged substructures, series selection and R-group QSAR. We will present a standalone, freely available tool that allows users to explore ChEMBL using our fragment approach as well their own data using the same techniques.

http://wn.com/How_Molecular_Fragments_Allow_us_to_Explore_Large_Chemical_Spaces_Rajarshi_Guha_NIH

001-I want DHFR ligands (or for 2500+ other biological targets)

Order: Reorder
Duration: 4:22
Updated: 08 Mar 2012

How to find known DHFR ligands using ZINC 12 (or many other targets as annotated in ChEMBL)

http://wn.com/001-I_want_DHFR_ligands_or_for_2500+_other_biological_targets

Screen3D: a new high-throughput flexible alignment method - Oleg Ursu (Uni. of New Mexico)

Order: Reorder
Duration: 10:15
Updated: 01 May 2012

Among ligand-based virtual screening methods shape-based, ligand-centric approaches have shown promise in pharmaceutical drug design. Numerous comparisons of similarity methods were conducted using various data sets during the past few years. Here, ChemAxon 3D ligand-based approaches are validated on several targets from ChEMBL database. Evaluation of virtual screening results shows effectiveness of new screening methodology and good actives recovery rates.

http://wn.com/Screen3D_a_new_high-throughput_flexible_alignment_method_Oleg_Ursu_Uni_of_New_Mexico

Christopher Southan: Synergies between ChemAxon's chemicalize and other open resources

Order: Reorder
Duration: 25:50
Updated: 19 Jun 2012

Evaluation of chemicalize.org indicates it not only complements and benchmarks commercial patent databases but also for academic groups interested in interrogating only small sections of the medicinal chemistry IP landscape, may provide an alternative. It has powerful flexibility when combined with other open tools and sources to identify not only novel drug discovery compounds but also link them to SAR. For example, patent office metadata queries, keyword searches in freepatentsonline (FPO) or EBI CiteExplore patent abstracts give useful drug target recall via gene names and simple Boolean conditions (eg DPPIV OR dipeptidyl peptidase AND inhibitor). Identified patent texts can then be chemicalized in seconds from any espacenet or FPO URL and quickly eyeballed for drug-like exemplars. Additional IUPAC conversions in problematic cases can be accomplished by re-inputting text from Notepad and iterating OCR fixes such as: For recalcitrant cases the OPSIN tool will sometimes succeed or highlight the error point. Relevant exemplar listings, separated from common reagents, can be surfaced in a convenient form (eg sites.google.com to allow SDF download from chemicalize followed by uploading to PubChem. In this case, a DPPIV filing by Takeda, 68 of the 99 structures had exact matches. By aggregating the PubChem patent chemistry sources of Thomson Pharma, IBM and EPO at just over 5 million CIDs we can intersect these with 48 of the 68 from US7687625 by exact match. We can also ...

http://wn.com/Christopher_Southan_Synergies_between_ChemAxon's_chemicalize_and_other_open_resources

Starlite, uma manhã em Alvorada.wmv

Order: Reorder
Duration: 5:27
Updated: 04 May 2012

Voando o Starlite

http://wn.com/Starlite,_uma_manhã_em_Alvoradawmv

Welcome to the Enzyme Portal

Order: Reorder
Duration: 1:32
Updated: 04 May 2012

An introduction to Enzyme Portal. What is it? And why might you use it?

http://wn.com/Welcome_to_the_Enzyme_Portal

photo: Creative Commons / Axou

Aviva is a 68 metres (223 ft) length motor yacht, currently the 80th longest motor yacht in the world.

Steve Jobs' Mega-Yacht Free To Sail After Temporary Reprieve

Newsfactor

24 Dec 2012

Steve Jobs was controversial in life, and now his high-tech mega-yacht is associated with a controversy long after his death. The former Apple CEO's ship was impounded in Amsterdam in the middle of a financial battle over a disputed bill. Phillippe Starck, a French product designer and architect, has alleged that Jobs' heirs owe him 3 million euros for his work on Venus, the 256-foot yacht Jobs commissioned before his death ...   ... ....(size: 2.6Kb)

photo: AP / Musadeq Sadeq

A member of security escorts a U.S. convoy in to the Kabul police headquarters, where a an American advisor was killed in Kabul, Afghanistan, Monday, Dec. 24, 2012.

Afghan policewoman kills US adviser in Kabul

my SA

24 Dec 2012

KABUL, Afghanistan (AP) — An Afghan policewoman shot and killed an American adviser outside the police headquarters in Kabul on Monday, the latest in a rising tide of insider attacks by Afghans against their foreign allies, senior Afghan officials said. The woman, identified as Afghan police Sgt ... The woman was taken into Afghan custody shortly after the attack ... As many Afghans, the policewoman uses only one name ... Air Force Lt. Col ... Gen ... ....(size: 4.6Kb)

photo: AP

Members of Myanmar Fire Brigade team gather near a damaged Air Bagan passenger plane in Heho, Shan State, Myanmar, Tuesday, Dec. 25, 2012.

Two killed and 11 injured in Burma emergency landing

BBC News

25 Dec 2012

Two people, including a young child, have been killed and another 11 injured during an emergency landing in Burma, officials say. The Air Bagan plane was carrying more than 60 passengers, many of whom were foreign nationals ... "The cause of the accident is not clear yet ... ....(size: 1.4Kb)

photo: AP / Hasan Jamali

From left to right, Bahraini Prime Minister Prince Khalifa bin Salman Al Khalifa, United Arab Emirates' Vice President Sheik Mohammed bin Rashid al-Maktoum, Oman's Vice President Fahad bin Mahmoud, Kuwait's Emir Sheik Sabah Al Ahmad Al Sabah, Bahrain's King Hamad bin Isa Al Khalifa, Saudi Crown Prince Salam bin Abdul Aziz Al Saud, Qatar's Crown Prince Sheik Tameem Al Thani, and Bahraini Crown Prince Salman bin Hamad Al Khalifa, pose for picture during the Gulf Cooperation Council GCC summit in Sekhir, Bahrain, Monday, Dec. 24, 2012.

GCC states slam Iran interference in region

Al Jazeera

26 Dec 2012

The six Gulf states have sharpened their tone against their neighbour Iran, demanding an immediate halt to its "interference" in their internal affairs while urging action to halt mass killings and violations of international law in Syria ... The council said they "reject and denounce" Iran's "continued interference" in their internal affairs that increase regional tension and threaten security and stability ... 419 Source .. Agencies. Share ... ....(size: 18.7Kb)

photo: AP / Khalil Hamra, File

FILE - In this Saturday, Dec. 22, 2012 file photo, an elderly Egyptian man shows his inked finger after casting his vote on the second round of a referendum on a disputed constitution drafted by Islamist supporters of President Mohammed Morsi in Fayoum, about 100 kilometers (62 miles) south of Cairo , Egypt.

Egypt constitution passes, economic crunch looms

The Salt Lake Tribune

26 Dec 2012

Cairo • The official approval of Egypt’s disputed, Islamist-backed constitution Tuesday held out little hope of stabilizing the country after two years of turmoil and Islamist President Mohammed Morsi may now face a more immediate crisis with the economy falling deeper into distress ... Join the Discussion. The battle over the constitution left Egypt deeply polarized at a time when the government is increasingly cash-strapped ... The U.S ... " ... ....(size: 5.7Kb)

Automated design for drug discovery

PhysOrg

12 Dec 2012

As more complex drugs are needed to treat more complicated problems - particularly in areas such as neuroscience, infectious diseases and cancer - the task facing biologists and chemists is daunting ... But there have been significant developments, aided by groups like ChEMBL in Cambridge, who are funded by The Wellcome Trust, in making drug design data available in a format computers can process ... ....(size: 4.1Kb)

Open access initiative reveals drug hits for deadly neglected tropical diseases

PhysOrg

13 Nov 2012

The open access Malaria Box is an MMV initiative launched in December 2011 to catalyse drug discovery for malaria and neglected diseases ... In return, MMV requests that any data gleaned from research on the Malaria Box are shared in the public domain within two years ... All the biological data from DNDi's screen, together with the existing preliminary data from MMV, are now publicly available on the open-source ChEMBL database ... ....(size: 2.9Kb)

New resource opens the door for enzyme research

PhysOrg

27 Feb 2012

It summarises information in the UniProt knowledge base; the Protein Data Bank in Europe; Rhea, a database of enzyme-catalysed reactions; Reactome, a database of biochemical pathways; IntEnz, a resource with enzyme nomenclature information; ChEBI and ChEMBL, which contain information about small-molecule chemistry and bioactivity; and CoFactor and MACIE for highly detailed, curated information about cofactors and reaction mechanisms....(size: 2.7Kb)

GSK and Online Communities Create Unique Alliance to Stimulate Open Source Drug Discovery for Malaria

PR Newswire

12 Aug 2010

"Making life-science information openly available to the research community is at the heart of the EMBL-EBI's mission," added John Overington, leader of the EMBL-EBI's ChEMBL team, which will act as the primary repository for the data through its ChEMBL resource ... www.ebi.ac.uk/chembl/....(size: 14.8Kb)

ChEMBL

Content
Description	Biological database
Data types captured	Molecules with drug-like properties and biological activity
Contact
Research center	European Molecular Biology Laboratory
Laboratory	European Bioinformatics Institute
Authors	John Overington, Team Leader
Primary Citation	PMID 21936816
Release date	2009
Access
Website	ChEMBL
Download URL	Downloads
Sparql endpoint	SNORQL
Tools
Miscellaneous
License	The ChEMBL data is made available on a Creative Commons Attribution-Share Alike 3.0 Unported License
Versioning	Chembl_13

This page contains text from Wikipedia, the Free Encyclopedia - http://en.wikipedia.org/wiki/ChEMBL

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Contents

Scope and access [link]

Associated resources [link]

See also [link]

References [link]

External links [link]

http://wn.com/ChEMBL

Make changes yourself !

Contents

Scope and access[link]

Associated resources[link]

See also[link]

References[link]

External links[link]

http://wn.com/ChEMBL

Scope and access [link]

Associated resources [link]

See also [link]

References [link]

External links [link]