Category Archive: databases

Aug
16

Finding invisible neglected TB in vivo active compounds with ChemSpider

Very occasionally I come across molecules that cause me to scratch my head and do a double take. I frequently scour databases to find obscure ones to build structure activity relationships or try to learn from the past. Sometimes you uncover surprises along the way – or in one case, many . 24hrs ago I …

Continue reading »

Jul
31

Curiosity, Science, HTS and is newer really better?

I have been a humble participant in several discussions in the last few weeks that have been stimulated by the paper on dispensing and IC50 differences between pipette tips and acoustic handling. I am still parsing them, but what really stands out is the complete lack of exhaustive comparisons in academic screening centers between different …

Continue reading »

Jul
22

Data Accessibility in the 21st Century

I was reminded at the weekend that there are are accessible scientists and there is accessible data and occasionally both. I recently had a reprint request for a paper I co-authored in 1999 and a dataset request for a paper published in 2010. I took time out of my weekend to respond to both scientists …

Continue reading »

Jul
11

Greater than the sum of the parts – issues in drug discovery

Inspired by the years of reading and also recent collaborative forays into the complexity of data quality and tools used for dispensing in HTS I have started to list issues that we need to be aware of in drug discovery (“anything that can go wrong – which will go wrong”). 1. How you move liquids …

Continue reading »

Jun
19

NCATS request for information- NIH-Industry Pilot Program Discovering New Therapeutic Uses for Existing Molecules

Yesterday I received the following email from NCATS (probably along with thousands of others). Dear Colleagues: This morning, the National Institutes of Health (NIH) announced $12.7 million in awards to match nine academic research groups with a selection of pharmaceutical industry compounds to explore new treatments for patients in eight disease areas, including Alzheimer’s disease, …

Continue reading »

May
07

Molecule names but no structures again on NCATS

One has to ask how often history repeats itself. In the case of NCATS its at least every year. Last year a few of us brought to light the case of the drug company (industry) provided compounds looking for a repurposing home on the NCATS website, which oddly enough did not have any structures.  This …

Continue reading »

May
06

Why does this issue still give me nightmares?

A week or so ago I was seriously contemplating giving up blogging after just a so-so level of interest over 2 years and a couple of spikes that really only corresponded to issues around database quality which is not even the main focus of of my research. My blog is by far not the most …

Continue reading »

May
04

Open Drug Discovery Teams – An example of a lean start-up as an app

I have written quite a bit in the past on this blog about how the Open Drug Discovery Teams app was created with Alex Clark and how we have used it to highlight rare and neglected diseases, share molecules via Twitter and so much more! We think this is an example of a lean start-up, a …

Continue reading »

Apr
30

Big Job at NIH – Big data, Big Job description

I was reminded again yesterday that the NIH is looking for someone to fill a very big job –  Associate Director for Data Science – reporting to Francis Collins. Hmm pretty interesting. It is not everyday you see a very prominant opportunity to work with a top scientist in a major organization. Just how big …

Continue reading »

Mar
02

Rare disease funding disparity

Day 2 of the NIH rare disease day did not disappoint. Lets just say it was all about the numbers. My extensive tweets can be found with the hashtag #RDD@NIH. John Gallin from the NIH clinical center has 1255 physicians, 240 beds and studies 463 rare diseases. Danilo Tagle from NCATS described their lab on …

Continue reading »

Older posts «

» Newer posts