OpenEye Scientific is delighted to announce the release of the 2022.4 Orion® Suites and Modules. Each release strives to provide our users with state-of-the-art science, calculation performance, and scalability performance to meet our customers most challenging drug discovery projects.
NEW SCIENCE and IMPROVED PERFORMANCE includes:
- Small Molecule Discovery Suite: Enhanced features to make it easier to calculate and analyze results from large scale virtual screening. Available new methodologies for 2D and 3D data clustering. Floes to analyze and preprocess data for training machine learning models as well as for building classification and regression models. And much more.
- Antibody Discovery Suite: Update to enable sequence error correction through processing of unique molecular identifiers prior to sequence annotation
- Formulations Suite: A new floe, improvements, and bug fixes in the automated protocol for crystal structure prediction
- Gaussian Module: Improved Floes for torsion scanning calculations and conformer ensemble analysis
Learn more by contacting us to schedule a personalized demo with one of our experts.