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Cheminfo Stories 2021 Virtual UGM | Chemical consistency: from principles to applications
Chemical structures come in various shapes and sizes, depending on the scientists or even...
Chemical Descriptors & Standardizers for Machine Learning Models - Cheminfo Stories APAC 2020
Artificial Intelligence and Deep Learning in drug discovery projects, configuration options -...
Combined Ligand- and Receptor-Based Virtual Screening Methodology to Identify Structurally Diverse Protein Tyrosine Phosphatase 1B Inhibitors
Protein tyrosine phosphatase 1B (PTP1B) is a potential drug target for diabetes and obesity....
Webinar: Chemical Descriptors and Standardizers for Machine Learning Models
Types and confi gurations of chemical descriptors available to machine learning models The effects...
Ligand-Based Virtual Screening Using Tailored Ensembles: A Prioritization Tool for Dual A2A Adenosine Receptor Antagonists / Monoamine Oxidase B Inhibitors
Virtual Screening methodologies have emerged as efficient alternatives for the discovery of new...
Identifying new topoisomerase II poison scafolds by combining publicly available toxicity data and 2D/3D-based virtual screening
Molecular descriptor (2D) and three dimensional (3D) shape based similarity methods are widely used...
Shrinking the haystack: an overarching search in chemical databases
Drug discovery is a knowledge-intensive process in which having the right information at hand can...
Development of QSAR machine learning-based models to forecast the effect of substances on malignant melanoma cells
SK-MEL-5 is a human melanoma cell line that has been used in various studies to explore new...
ChemAxon Portfolio
This presentation will have 2 major parts. In the very first part, David will introduce our major...
Orthologue chemical space and its influence on target prediction
Motivation: In silico approaches often fail to utilize bioactivity data available for orthologous...