Using Plexus Design to create chemical space for structure-based drug design

May 25, 2016 - Presentation
How to make better molecules faster is a key challenge in preclinical drug discovery. At Sprint Bioscience we use fragment-based techniques to quickly find high-quality chemical starting …

StarDrop and Plexus integration: Guiding high quality library design

May 20, 2015 - Presentation
StarDrop guides the design and selection of high quality compounds in drug discovery using unique approaches such as Probabilistic Scoring and the Glowing Molecule™ to combine experimen…

Plexus Design

Sep 30, 2015 - Presentation
The virtual library design solution of Plexus Suite. Synthetically feasible virtual compound libraries can be created in a few steps via scaffold based and reaction based enumeration. Ple…

Deployment of the Plexus Enumeration Tool for Medicinal Chemists at Celgene

Sep 30, 2015 - Presentation
At Celgene, we provide medicinal chemists effective in silico tools to generate and evaluate ideas. We will share the modifications that were made to the Plexus enumeration tool, as part…

LiveDesign – Collaboration of Schrödinger and ChemAxon

Sep 29, 2015 - Presentation
As the drug discovery industry becomes increasingly globalized, there is a growing demand for platforms to support collaboration among multi-campus, multi-disciplinary teams. Here, we pre…

Plexus Design - Simple, intuitive library design for any chemist

Feb 12, 2015 - Webinar
ChemAxon has recently introduced Plexus Suite, a web-based platform to access, display, search and analyze scientific data. Plexus Suite consists of different integrated modules addressin…

ChemAxon European Annual Meeting (UGM), Budapest, May 24-26, 2016

May 24, 2016 - Report
and from command line. The vendor library was prepared as follows. MolConverter was used to generate SMILES from vendor SDfiles and the records from all vendors were merged into one datab…