Selvita licenses Cresset’s computational tools for SAR analysis and ligand-based design

Cambridge, UK – 2nd September 2014 – Cresset, innovative provider of computational chemistry software and services, is pleased to announce that Selvita S.A., a drug discovery company located in Krakow, Poland, has licensed Cresset’s Forge and Spark. These applications provide extensive capabilities in SAR analysis, ligand-based molecular design and bioisosteric replacement. Dr. Mariusz Milik, Head…

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August 2014 Newsletter

New KNIME nodes and Pipeline Pilot (V2.2) components released We are delighted to announce our continued integration with KNIME and Pipeline Pilot workflow environments. This release introduces nodes for FieldTemplater, distributed computing and Spark Database Generator functionalities. Read more. Keyboard shortcuts for Forge Print out and keep handy these shortcuts for actions and menu options…

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New KNIME nodes and Pipeline Pilot (V2.2) components released

We are delighted to announce our continued integration with KNIME and Pipeline Pilot workflow environments. This release introduces nodes for FieldTemplater, distributed computing and Spark Database Generator functionalities. FieldTemplater The FieldTemplater node is part of Cresset’s Forge nodes which wrap the corresponding functionality from the command line. FieldTemplater is a tool for finding pharmacophores: common…

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Presentation from MGMS Modelling Molecules and Materials meeting

Mark Mackey, Cresset’s CSO, presented on ‘Analysing selectivity through multi-dimensional activity cliff analysis’ at the MGMS MGMS Modelling Molecules and Materials – M3 meeting. Cresset were delighted to, once again, sponsor the meeting. See Mark’s presentation.

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Presentations from 248th ACS National Meeting and Exposition

The following were presented at the 248th ACS National Meeting and Exposition in San Francisco. Bioisosteres in accessible chemistry space (CINF) Rapid identification and understanding of selectivity cliffs (MEDI – poster) Analysing selectivity through multi-dimensional activity cliff analysis (COMP – drug discovery) Semi-quantitative SAR using Bayesian modeling on activity cliffs (COMP – Ameri-QSAR) Find out…

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