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Estimation of TD50 and Acceptable Intake (AI) values of nitrosamines Estimation of TD50 (50% Tumor Dose) and Acceptable Intake (AI) values of nitrosamines as impurities in medicinal products based on read-across methodology. According to the ICH M7(R1) guideline, a preliminary analysis of actual and potential impurities should be done by searching the database and literature […]

List of endpoints that we predict: QSAR Lab specializes in a computational risk assessment of chemical substances including Physico-chemical , eco-toxicological , and toxicological properties for almost every endpoints e.g: PHISICO-CHEMICAL PROPERTIES REACH Endpoint TEST 7.2 Melting/freezing point OECD 102 7.3 Boiling point OECD 103 7.4 Relative density OECD 109 7.5 Vapour pressure OECD 104 […]

DATA ANALYSIS USING MACHINE LEARNING AND ARTIFICIAL INTELLIGENCE Excessive information noise and large multidimensionality of available data can impede comprehensive assessment of results, even by experts. Therefore, one of the basic tasks of modern data analysis is to extract the most important information contained in the available data set. By using advanced machine learning methods […]

NANOTECHNOLOGY Nanotechnology is an innovative science that involves the design, characterization, production and application of structures by controlling their shape and size on a nanometric scale (1 to 100 nanometers). Thanks to the use of nanoscale materials, it is possible to achieve entirely new physical, chemical or biological properties. It is these unique properties that […]

TRAINING Thanks to our expertise in chemoinformatics and many years of experience working with commercial orders, the QSAR Lab scientific team offers specialized training in the following areas: Development and validation of QSAR / QSPR models Basics of methods of quantitative and qualitative modeling of the relationship between chemical structure and biological activity (Q) SAR […]

CONSULTATIONS At QSAR Lab, we develop and use intelligent technologies that can be an important part of R&D projects and facilitate the decision-making process for both science and business. We aim to combine our expertise in chemistry and data analysis to meet customers’ needs. We offer consulting services in the field of data analysis based […]

VIRTUAL SCREENING OF ALTERNATIVE SUBSTANCES Responding to market needs and client inquiries, QSAR Lab now offers a new service – virtual screening of alternative substances. This service is aimed at companies looking for replacements to currently used chemicals, companies which have difficulties with the availability of raw materials, or which are preparing alternative recipes for […]

Toxicity assessment and WoE Modern methods of computational toxicology and safety assessment are based on the idea that there is a relationship between the chemical structure of the compound and its properties, including biological activity. Computational methods are becoming an increasingly important tool offering both financial and business benefits. They allow for a significant reduction […]

COMPUTER DESIGN OF CHEMICAL COMPOUNDS Market demand for new chemicals is constantly growing, both with the need to improve the quality of chemical products already available on the market with the use of new ingredients with improved parameters, and with the development of completely new chemical products responding to new and diversified consumer needs. The […]