Open Innovation Drug Discovery

OIDD Design

Computational chemistry provides a highly efficient means to design, assess and prioritize multiple chemical structures for synthesis and/or biological evaluation. Lilly's OIDD Design program offering provides these tools and a secure workspace in the cloud so that participating investigators can ask the "what-if" questions and refine their scientific hypotheses.


Participating investigators may request a secure virtual machine in which to apply these tools to create libraries of chemical structures that can be subsequently uploaded into their secure OIDD account for in silico evaluation. In this manner, they have the option to design structures with desirable drug-like properties or suited to a particular biological target.

Plexus Discovery Platform

The Plexus Discovery platform is a chemistry application module of ChemAxon's Plexus Suite, co-developed by ChemAxon and Lilly scientists, and designed to facilitate molecular design processes by providing chemists with simple in silico workflows.

Plexus Discovery aims to provide chemists powerful cheminformatics capabilities, such as advanced visualization and analytics tools, within a series of intuitive interfaces that simplify and speed up compound design tasks. Plexus Discovery allows investigators to achieve everyday goals—such as virtual library enumeration, property-based filtering or pharmacophore similarity searching—in a simple and straightforward manner.

All of our design tools are available to participating investigators, and their use is not contingent on submitting structures for screening or synthesis. The choice of whether to submit a designed library to OIDD Screening remains entirely with you. And the cloud workspace is secure and not connected to Lilly servers, so your designs are not transmitted to Lilly OIDD personnel, in accordance with our commitment to protecting your intellectual property.

In Silico Evaluation Report

For investigators who choose to upload their designed structures into their OIDD account for in silico evaluation, Lilly provides an in silico report that outlines relevant molecular properties and other calculated parameters.

To request Plexus software, click on the “Start Designing” red bar.