Category Archive: science apps

Jan
19

Using more online software to make predictions for BIA 10-2474

**UPDATE As of 21st Jan 2016 please note the actual structure of BIA 10-2474 changed to this.   To continue the theme of the last few posts on the BIA 10-2474 compound in which I have used over 2000 Bayesian models and an App as well as another groups target prediction tool. To take this …

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May
28

Turning points and games with a purpose

Today I was talking to one of my old mentors from my postdoc days (in big pharma), for the first time in a few years. I realized that working with him and exposure to computational chemistry software  was a real turning point in my career in 1996. Several more turning points later …and I am …

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Nov
04

App exposure

It is the little things in life that make it all worthwhile – perhaps. I have noticed a definite uptick in interest in the science apps we developed over the last few years. For example I was recently contacted by a science writer who wanted to write about the open drug discovery teams app. This …

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Aug
14

A poster and 3 more ACS talks

Tuesday and Wednesday at the ACS were pretty full up with meetings, talks and posters. Tuesday I gave a poster entitled Progress in computational toxicology – which generally shows a pretty good agreement between different machine learning methods and various toxicity datasets. It also served to highlight a new tool we have developed with Alex …

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Aug
11

ACS in San Francisco..6 talks and a poster

For a few days I am in SF presenting several talks ..In all but one case I plan to post the talks.. Yesterday’s talk was on collaborations. The prior speaker did not turn up so I gave it twice. Today I gave two presentations. One on TB mimics. This work is subject to some papers …

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May
02

Article visibility and open access : Making TB Mobile visible

Always it seems as scientists we are playing a fine line between being either “under the radar” presence and not over hyping our work and then also needing to be visible to collaborate, get grants and build our social reputation. A recent set of slides by Antony Williams highlights the importance of having an “online …

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Apr
17

Finally after 18 years – Time for a Research Statement

Its been something I continually grapple with. As a non academic doing a diverse range of scientific projects how could I come up with a vision statement (if indeed I needed one as I have managed for 18 years without one). A few days ago I put a research statement together. I think it basically …

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Apr
14

iDrug – intelligent drug discovery

I gave a little futuristic talk the other week. I made a few edits and a few more ideas to tighten its focus. Most importantly I have changed the title and scope. I think we are approaching an era I have called iDrug or intelligent drug discovery. I hope its self explanatory. I begin by …

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Apr
11

American Chemical Society 2013 Meeting – New Orleans

I am just back from the 2013 American Chemical Society in New Orleans at which I co-chaired 2 sessions in CINF. Lots of gumbo and jambalya were consumed. A very busy meeting, so much so that I barely left the rooms in which I was either talking or helping to chair. Lots of interesting discussions …

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Mar
07

Why are some companies slowly developing mobile apps ?

If you follow this blog, you will already know I have a bit of an interest in mobile apps for chemistry and science in general. This is through having ideas like Green Solvents, Open Drug Discovery Teams and TB Mobile  (which are all free apps) and then getting a great developer like Alex Clark involved that knows the …

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