Promise and reality of turning chemical literature into information

CINF 9

Thompson N. Doman, DOMAN_THOMPSON_N@Lilly.com, Eli Lilly and Company, Lilly Corporate Center, Indianapolis, IN 46285
The fields of computational chemistry and especially chemical informatics have advanced greatly in recent years, and vastly more sophisticated analyses of chemical results are possible these days. However, due to technical, business, and political realities, there are still significant barriers to conducting these analyses in a timely fashion. Using a recent case study, I will highlight the challenges in turning traditional 2D chemical graphs found in many chemistry-related publications into 3D molecular models.