What characteristics should a QSAR model have from a regulatory point of view? A case of the ICH regulation. As we saw in our previous post about what QSAR models are and how are they created, the REACH (chemical products) and ICH (drug) legislations not only accept, but also promote the use of alternative methods to animal testing for the evaluation of physicochemical and toxicological properties. Among these alternative methods, as you already know, are computational methods. In this post we are going to explain the requirements that these legislations have for computational models and, more specifically, the (Q)SAR methods. On the one hand, ECHA (European Chemicals Agency) points out […]
QSAR models, what are they and how are they created? The QSAR models, acronym for Quantitative Structure Activity Relationships, are based on one of the most used techniques in the field of chemoinformatics, as we saw in the previous entry. In this post we will help you to understand better how to obtain these models and the different terms employed in reference to these, as well as clear up the most common doubts that they usually cause. What is a QSAR model? QSAR models are complex mathematical algorithms that facilitate and accelerate an important task in fields such as chemistry or drug development: the predictive evaluation of the properties or […]
ProtoQSAR is selected in the latest SME Instrument call of the European Commission. Our company receives European funding to promote an ambitious innovation project.
The article of ProtoQSAR entitled “Recent advances in computational approaches for designing potential anti-Alzheimer’s agents” has just been published in the last book of the series “Neuromethods” by Springer.