Please join moderator Ashley Farley, Associate Officer of Knowledge & Research Services at the Bill & Melinda Gates Foundation (BMGF) for a discussion on drug discovery data with both Dr. Andrew Leach from ChEMBL and Dr. Evan Bolton from PubChem. The webinar will be presented on June 26th at 8:30PM (IST). The emergence of freely available PubChem and ChEMBL resources for chemical and biological Structure-Activity-Relationship (SAR) data has radically changed the global drug discovery informatics landscape. The heterogeneity of low throughput and high throughput chemical and biological data do nevertheless present some unique challenges – and opportunities – when creating large-scale community resources – for sophisticated purveyors of drug discovery data. #CDDVault #Collaborative #Drug #Discovery #ELN #Inventory #Cheminformatics #India
Webpage: https://ift.tt/2tDLhzB
Bengaluru: June 25, 2018 at 10:00PM

Introduction to StarDrop 6.5, data visualisation, WhichP450, R-group clipping, library enumeration, Nova, images
Optibrium is pleased to announce the launch of StarDrop 6.5. This release introduces WhichP450, for predicting which human Cytochrome P450 enzymes are the major metabolising isoforms for a novel compound. StarDrop also comes with new and enhanced data visualisation environment enabling you to create publication-quality graphics in just a few clicks.
Webpage: https://ift.tt/2I5q07h
Bengaluru: June 20, 2018 at 07:07PM

From communication and information processing, to transport and medicine, to energy conversion and storage, materials provide the critical properties that govern applications and efficiency. Hence, the optimization and development of materials opens extraordinary opportunities. Many factors must be....
Atomistic Simulations as a Driver of Industrial Innovation Attend this free webinar to: Please register for June 21 from 11.30am to 12.30pm web session. -See how atomistic simulation complements analytical methods -Learn about the added-value of atomistic modeling in an industrial context -Gain insight into the broad capabilities of the MedeA® software environment -Work with Materials Design® in solving industrial problems
Webpage: https://ift.tt/2Kc6xad
Bengaluru: June 20, 2018 at 06:56PM

Database of Zeolite Structures This database provides structural information on all of the Zeolite Framework Types that have been approved by the Structure Commission of the International Zeolite Association (IZA-SC). #Zeolite #Catalysis #Oil #Material #Science #Computational #Frameworks
Webpage: https://ift.tt/2eSzDxz
Bengaluru: June 05, 2018 at 11:43PM

Computational Chemistry Comparison and Benchmark DataBase Experimental and computed (quantum mechanics) thermochemical data for a selected set of 1899 gas-phase atoms and small molecules. Tools for comparing experimental and computational ideal-gas thermochemical properties. Vibrational Frequencies, Rotational Constants, Electric Dipole, Electric Quadrupole, Polarizabilities Molecules in the CCCBDB mostly have the following constraints: >Well-established experimental heat of formation. >Atoms with atomic number less than 36 (Krypton) with only a few transition metals. >Less than nine heavy atoms and twenty or fewer total atoms. #Computational #Chemistry #Database #Crystal #Material #Science #India
Webpage: https://ift.tt/2kOEaAr
Bengaluru: June 05, 2018 at 11:42PM

This site is an interface to a crystal structure database that includes every structure published in the American Mineralogist, The Canadian Mineralogist, European Journal of Mineralogy and Physics and Chemistry of Minerals, as well as selected datasets from other journals. The database is maintaine...
An interface to a crystal structure database that includes every structure published in the American Mineralogist, The Canadian Mineralogist, European Journal of Mineralogy and Physics and Chemistry of Minerals, as well as selected datasets from other journals. The database is maintained under the care of the Mineralogical Society of America and the Mineralogical Association of Canada, and financed by the National Science Foundation. #Crystal #Minerals #Material #Science #India #Databases
Webpage: https://ift.tt/OUDMhq
Bengaluru: June 05, 2018 at 11:40PM