The More the Merrier: Combine Drugs Together 256th ACS National Meeting Boston, August 19-23, 2018 CINF Division Dear Colleagues, we are organizing a symposium at the Fall ACS meeting in Boston focusing on computational, experimental and hybrid approaches to investigate the effect of drugs combinations on biological systems and characterizing phenomena such as synergy and […]
Move Away from the Lamp Post & Find Druggable Targets 256th ACS National Meeting Boston August 19-23, 2018 CINF Division Dear colleagues, we are organizing a symposium focusing on methodologies and case studies that have explored under- or unstudied targets, with the goal of elucidating their function or role in the context of human disease. […]
The Chemical Structure Association (CSA) Trust Grant Program is now accepting applications, from young researchers with an interest in systems and methods used to store, process and retrieve information about chemical structures, reactions and compounds. You can view the details here and can get in touch with Bonnie Lawlor (firstname.lastname@example.org) if you have any questions.
Recently Barbara Zdrazil and I published an article that explored the idea of tracking the attention being paid to a scaffold in the medicinal chemistry literature (as represented by ChEMBL). The gist of the idea is that scaffolds that are more frequently enumerated or tested in more assays (or even published in increasingly high IF […]
Deep learning (DL) is all the rage these days and this approach to predictive modeling is being applied to a wide variety of problems, including many in computational drug discovery. As a dilettante in the area of deep learning, I’ve been following papers that have used DL for cheminformatics problems, and thought I’d mention a […]