ACS Medi 37th National Medicinal Chemistry Symposium

American Chemical Society
Division of Medicinal Chemistry

 New York City, NY, United States    June 28-July 1, 2020

Vendor Workshops

The following Vendor Workshops will be organized during the lunch breaks on Monday, June 29 and Wednesday, July 1. The workshops will be held in the main lecture room. Participation is free of charge, but we kindly ask you to register during your online registration.

Monday, June 29 | 12:20-1:05PM
Vendor Workshop by BioSymetrics

Using Machine Learning for Mechanism of Action Prediction Following Phenotypic Screening

Presented by: Gabriel Musso, Victoria Catterson, Nishanth Merwin

In this workshop we will cover:

  • Using phenotypic screens for drug discovery: what are they, how can they complement target-based drug discovery?
  • The process of choosing your phenotype of interest and working out how to assess that, using zebrafish as an illustrative. 
  • Leveraging Machine Learning to automate the phenotype characterization process
  • The path from phenotype to mechanism, what tools are available and how can you leverage them? 
  • MoaMiner Demo! What it is, how it works (at a high level)

Wednesday, July 1 | 12:20-1:05PM
Vendor Workshop by Schrödinger

Designing Molecules in 3D

Biological processes are routinely controlled by the 3D shapes of molecules, but medicinal chemists are not typically given tools that allow them to design in 3D. Traditionally, 3D modeling has been the work of computational chemists or required specialized technical skills, such as coding. In this workshop, we will show how using Ligand Designer within Schrödinger's platform can enable medicinal chemists to explore design questions in 3D quickly and easily. Ligand Designer is a dynamic, user-friendly way to help medicinal chemists know what to do when exploring new compound ideas. By using 1D, 2D, and 3D information, medicinal chemists can test more hypotheses and make more informed decisions to drive their projects forward. After this workshop, you will know how to use Ligand Designer and a few workflows that can be applied to design questions.