Yesterday I gave a talk to the Informatics group at the Wellcome Trust Sanger Institute that focused on using Cloud computing within a scientific domain.
I am currently sitting at the dining table of Peter Murray-Rust with Egon Willighagen opposite me talking to Jean-Claude Bradley. We pulling together sets of data from Jean-Claude’s UsefulChem project into CML to make it more semantically rich and do a bunch of cool stuff. Jean-Claude has a recently published preprint on Nature Precedings of a paper that has been submitted to JoVE. Egon was able to grab the InChiKeys from the relevant UsefulChem pages and passing those to CDK via a script that he wrote on the spot (which he has also just blogged) generated CML react for those molecules.
The Theoretical and Computational Biophysics Group is a pioneer in the realm of high-performance computing. To meet our computational needs, we maintain a wide selection of computers divided into four main categories: compute power, visualization equipmen
Science Commons designs strategies and tools for faster, more efficient web-enabled scientific research. We identify unnecessary barriers to research, craft policy guidelines and legal agreements to lower those barriers, and develop technology to make res
elcome to the Directory of Open Access Journals. This service covers free, full text, quality controlled scientific and scholarly journals. We aim to cover all subjects and languages. There are now 3371 journals in the directory. Currently 1151 journals a
SciPy (pronounced "Sigh Pie") is open-source software for mathematics, science, and engineering. It is also the name of a very popular conference on scientific programming with Python. The SciPy library depends on NumPy, which provides convenient and fast
The Open Text Mining Interface (OTMI) is an initiative from Nature Publishing Group (NPG). It aims to enable scholarly publishers, among others, to disclose their full text for indexing and text-mining purposes but without giving it away in a form that is
Abstract. Since Swanson’s introduction of literature-based discovery in 1986, new hypotheses have been generated by connecting disconnected scientific literatures. In this paper, we present the general discovery model and show how it can be used for dru
...research already in progress is opened up to allow labs anywhere in the world to contribute experiments. The deeply networked nature of modern laboratories, and the brief down-time that all labs have between projects, make this concept quite feasible.
Protected UsefulChem Project This is an open source science project in chemistry led by the Bradley Laboratory at Drexel University. Since all laboratory experimental results are made public, we refer to this work as Open Notebook Science as well. Cli
ChemSpider is a free access service providing a structure centric community for chemists. Providing access to millions of chemical structures and integration to a multitude of other online services ChemSpider is the richest single source of structure-base
Open Notebook Science involves a variety of internet-based techniques for sharing of scientific information, from the use of wikis for experiments, to the Chemspider database, where chemists share molecules in a fashion that is socially (but not technical
One beautiful Fall day seventeen years ago I wandered into an office and my life profoundly changed. I was an undergraduate at Princeton, and was looking for a thesis advisor. Jadwin Hall was an intimidating place. Plenty of names familiar from my textboo
Programs for Protein, DNA, and RNA structure determination by NMR Several groups at UC San Francisco have developped software useful for studying biomolecules with NMR. Software has been developped by