Integrating Big Data and Macromolecular Protein Structures into Small Molecule Design

The 2019 CADD Gordon Conference will focus on recent advances at the intersection of Big Data, Small Molecules, and Macromolecular Protein Structures.

CADD is a rapidly evolving field at the interface between the world of small molecules, an increasingly deep understanding of macromolecular protein structures, and the potential of big data and corresponding analytical methods to marry these scales. The vision of this year's conference is to align our fundamental strengths with the promises of machine learning and new insights gained from experiments such as cryoEM.

The conference will emphasize novel computational methods paired with applications in real world settings. Recent highlights from data visualization, innovative approaches on how we should gauge forecasts from predictive sciences, and applications of machine learning in drug discovery will be featured. In an effort to shorten the timelines to deliver safe molecules with desirable pharmacokinetic properties to patients, there will be a session on the application of in silico ADMET modeling with a focus on discovery activities. The conference will also offer how accessing hitherto inaccessible macromolecular structures via cryoEM is advancing the field.

The program is designed to celebrate success stories, share and learn from various challenges that the field faces, and emphasize recent highlights and creative approaches. The conference will bring together world-class scientists and researchers. In the spirit of the GRC, every talk in the program will have an element of unpublished work.

Vice-Chair Georgia McGaughey (Vertex) created the scientific program and the line-up this year in collaboration with all Session Discussion Leaders. 2019 CADD GRS Chairs, Fiorella Ruggiu (DiCE Molecules) and Dante Pertusi (GSK) will be selecting the best talk from the CADD GRS which will be presented Monday morning at the GRC. The poster sessions (over four days) and poster previews (on Monday) will be organized by John Chodera (MSKCC). A Women in Science Power Hour will be organized by Hanneke Jansen (Novartis) and Sereina Riniker (ETH) on Monday afternoon.

The 2019 CADD GRC will continue the tradition of outstanding science presented in a relaxed atmosphere, infused with a variety of social activities. Martin Stahl (Roche) will lead a hiking expedition through the forest to the Somerset Reservoir, and a kayak/canoe afternoon at High Country Marine. Dan Ortwine (Genentech) will organize the traditional CADD GRC scramble golf tournament at Mount Snow Golf Club.

We encourage applicants to submit abstracts for poster presentations. A few posters will be selected for "poster preview" talks. Posters are an essential part of the GRC program, as they contribute to discussion and interaction among the conference attendees.

We thank you for your interest in the CADD GRC and welcome your completed application by April 1st, 2019.