May
22
For the last 5-6 years I have been kind of obsessed (in a good way) with how perhaps we could try to get computational machine learning models for drug discovery to a point where they could be shared. The reasoning behind this being that we publish papers, but the models described in them never really …
May
12
It is that time of the year when we get those automated emails telling us our abstracts have been scheduled for the next ACS in August. In addition to these I will be participating in a careers panel for undergraduates which will be interesting – hopefully to inspire the next generation that there is lots …
Dec
15
A year in collaborative publications, the ups and downs and a few random comments as well (with a big thanks to all involved): 1. Ekins S and Freundlich JS and Coffee M, A common feature pharmacophore for FDA-approved drugs inhibiting the Ebola virus, F1000research, 3: 277, 2014. This came initially from a Twitter exchange of …
Nov
04
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 …
Aug
14
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 …
May
07
I put a few abstracts left over from the last meeting in Texas into the ACS for the San Francisco meeting and so I will be busy in the coming months preparing for this. see you in San Francisco, California, August 10-14, 2014. PAPER ID: 22104 PAPER TITLE: “Collaborative Sharing of Molecules and Data in …
May
02
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 …
Apr
17
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 …
Mar
18
Here is a summary of the session Co-chaired by Sean Ekins, Antony Williams and Joel S. Freundlich at the ACS on Sunday. The session consisted of 3 presentations and 1 no show. The first talk was given by Sean Ekins (Collaborative Drug Discovery) entitled “Looking back at mycobacterium tuberculosis mouse efficacy testing to move new …
Mar
17
The last few days were a whirlwind. Friday I flew to New Jersey to visit a collaborator at Rutgers. A day filled with discussions on TB. Then Saturday I flew back to North Carolina to make final tweaks to my talk for the ACS. Sunday I flew to Dallas Texas, co- chaired a session on …
