The HYPIEND project kicks off with its launch meeting in Barcelona. At the end of January, the European project HYPIEND began in Barcelona. This event was organized by EURECAT, the consortium coordinators. What is the HYPIEND Project about? The HYPIEND project focuses on addressing the environmental challenge of exposure to endocrine-disrupting chemicals (EDCs) during critical stages of development. Its main objective is to understand how simultaneous exposure to multiple EDCs affects the hypothalamic-pituitary (HP) axis and to develop strategies to minimize exposure and mitigate consequences during the perinatal and prepubertal stages. To achieve this, the project will use various methodologies, including computational toxicology to identify patterns of co-exposure to EDCs, […]

The start of the CheMatSustain project: innovation to assess the safety and sustainability of chemical substances in the European Union We are thrilled to announce the official kickoff of the CheMatSustain project! At ProtoQSAR, we are delighted to share that we are part of a new project funded by the European Union: CheMatSustain. This project aims to implement innovative methods to assess the safety and sustainability of chemical substances, especially at the nano level, in the European Union. Description of the CheMatSustain Project The Chemical Sustainability Strategy (CSS) has been adopted with the goal of addressing the challenge of producing and using chemicals within planetary boundaries while safeguarding people and […]

The SiToLub project begins: designing safe and sustainable lubricants for the future The beginning of this year is marked by the commencement of various projects. Today, we are pleased to announce the launch of the SiToLub project, an innovative initiative with a clear focus on the safe and sustainable formulation of lubricants for the future. What does the SiToLub Project consist of? The SiToLub project aims to develop a digital tool/platform for the safe and sustainable formulation of new lubricants. This tool will not only provide safety assessments for humans and the environment but also offer guidance in creating eco-friendly fluids such as coolants, greases, and oils. The vision is […]

At ProtoQSAR, we are dedicated to innovation and progress in the field of computational chemistry and toxicology. This summer, our researchers have distinguished themselves at various scientific events, sharing their knowledge and showcasing our latest projects. From the Summer School of the Spanish Society of Therapeutic Chemistry to the EUROPIN Congress in Vienna and beyond, ProtoQSAR has been at the forefront of scientific action. Laureano E. Carpio at the Summer School of the Spanish Society of Therapeutic Chemistry: We commenced the summer with our Ph.D. student, Laureano E. Carpio, who attended the Summer School organized by the Spanish Society of Therapeutic Chemistry. During this event, Laureano presented our PANACHE project, […]

Are you ready to dive into the fascinating world of computational chemistry and make a significant impact in drug discovery and toxicology? Look no further; we’re thrilled to introduce our two cutting-edge courses aimed at equipping you with the skills and knowledge to excel in this dynamic field. Don’t miss out on this incredible opportunity to supercharge your education and career – register today! Course 1: In Silico Toxicology Predictions for Regulatory Purposes: Introduction to (Q)SAR and Read Across Are you ready to explore the vital world of in silico toxicology and its critical role in regulatory assessments? Our first course introduces you to the essential concepts of (Quantitative) Structure-Activity […]

VIDEC meeting in Valencia. In January, our company hosted the annual meeting of the EU-funded project VIDEC in our offices in the European Center of Innovative Companies (CEEI) in Valencia, Spain. The VIDEC meeting is an essential gathering where we share the latest project updates and plan future steps. The event was a great success, and we had the pleasure of welcoming esteemed colleagues from the consortium from around the world who shared their knowledge, expertise, and the last steps related to the project. Our team actively participated in the meeting, not only in the organization but presenting our findings and discussing the project’s progress. We believe that this meeting […]

ProtoQSAR researchers participate at different international events We are thrilled to announce that our Marie Curie funded researchers, Salvador Moncho and José Luis Vallés, have recently presented their work at various international events, showcasing their groundbreaking research to audiences from all over the world. Salvador Moncho, a researcher in the field of nanomaterials, gave a captivating divulgative talk at the INspiracy event, a section of the scientific BCNspiracy event which was designed to showcase the latest scientific updates to high school students. Salvador’s talk focused on his recent work called NanoQSAR, in which he applies QSAR methodologies to study the properties of nanomaterials. His presentation was a great success, engaging […]

What statistical techniques do QSAR models use? As we have seen in the previous entries, QSAR models allow predicting properties or activities of molecules, and are obtained from the analysis of molecular descriptors with statistical and/ or machine learning techniques. QSAR models can be used qualitatively to classify a substance, for example as a skin irritant or non-irritant. They can also help us to calculate exact numerical values i.e., we may build quantitative models, for example, to calculate how many days it takes for a substance to degrade. As we saw in the entry on computational methods, the first type of models is known as classification models, while the second […]

What are molecular descriptors? In order to generate QSAR models, it is necessary to codify in some way the characteristics of the molecules, in order to have the most detailed possible description of these. In other words, it is necessary to translate the molecular structures into numerical values that can be easily understood by computer algorithms, so that they the most relevant characteristics for the studied bioactivity are selected. These characteristics are what we call ‘molecular descriptors’. But what are these molecular descriptors? Several descriptors have been proposed to date, some with a great deal of complexity, in this post we will attempt to mention the simplest and easiest to […]