The approach of combining ligand-based (LB) and structure-based (SB) methods in virtual screening campaigns contributes to mitigate the limitations of these techniques, and to enhance the performance by means of a balanced combination between docking scores and three-dimensional (3D) similarity.
We are very glad to announce that ChemEssen is now a tech partner of S-IN Soluzioni Informatiche.
ChemEssen has developed Mol-Instincts, the first chemical database with more than 2.8 million chemical compounds, and a high level of accuracy.
"Permeability, solubility and physchem properties in the bRo5 chemical space" is a free online event
Take a look at the I-YMC-VMEET ITALIAN YOUNG MEDICINAL CHEMISTRY VIRTUAL MEETING: we are happy to support as sponsor these young talented scientists.
We are very proud and happy to have been awarded by KNIME!
LC method development is a challenging task, and a ever-new journey.
To move a step forward into your project, take the opportunity to learn from an experienced scientist: at the free webinars organized by ACD/Labs, James Hogbin draws upon 41 years of method-development experience to explain the distinction between separations and analytical methods, and how to plan for the latter following QbD principles.
Come migliorare la produttività nei laboratori delle aziende Life Science: tre webinar gratuiti e in lingua italiana organizzati da Biovia-Dassault Systèmes, dedicati al settore chimico, bio-farmaceutico, food e di largo consumo.
How to face the challenge of automating the search of new drug candidates? In this Success Story, Chiesi Group used a KNIME workflow, developed by S-IN, to have the result in approximatively 50,000 compounds with calculated properties over a timeframe of more than 4 years - without any problem or intervention, saving time and increasing productivity.
As partner of MN-AM, we are happy to announce new release of ChemTunes•ToxGPS® v2020: users will have full access to all the components i.e., the toxicity database, safety evaluation database, read-across/RAX workflows, in silico predictions, and Liver BioPath metabolizer.