Webinar: Use of ProtoPRED for in silico risk assessment under REACH and ICH M7

Webinar: Use of ProtoPRED for in silico risk assessment under REACH and ICH M7

You can check our recently released webinar “Use of ProtoPRED for in silico risk assessment under REACH and ICH M7”. In this webinar, we discuss the applications of our computational tool ProtoPRED, with a special focus on the ProtoREACH and ProtoICH modules. ProtoREACH is a computational tool specifically focused on REACH, a European Union regulation adopted to improve the protection of human health and the environment from the risks that can be posed by chemicals. ProtoICH is a computational tool designed to predict the mutagenicity of compounds, accomplishing strict adherence to the ICH-M7 guideline, the official international regulation adopted to limit the potential carcinogenic risk of impurities in pharmaceuticals. ProtoPRED […]

ProtoQSAR in different congresses!

ProtoQSAR in different congresses!

ProtoQSAR presence in different congresses! In the last months, our team has been able to participate in different congresses by attending and, sometimes, presenting our work. Our CTO Eva Serrano Candelas presented a poster at the ONE conference by online modality. In this work, Eva presented the results of a project on Endocrine Disruption using different computational approaches. Here is a short video about the work: Both our PhD students, Rita Ortega Vallbona and Laureano E. Carpio, participated in the Spanish National Biotechnology Congress (BAC) held in Valencia. The jury selected them to present not one but two posters each! Rita defended two posters about her PhD project entitled “State […]

European night of researchers

European night of researchers

ProtoQSAR participates in the European researchers’ night. Last Friday, September 30, the European researchers’ night was celebrated. On the occasion of this celebration, our researchers Salvador Moncho Escrivà and José Luís Vallés Pardo participated in the Mediterranean night of the MEDNIGHT researchers. This initiative, organized by scientific institutions in the Mediterranean area, organized different activities to celebrate this event, disseminating research carried out in the Mediterranean area. Our researchers specifically participated in the “European Corner” activity, where projects financed by the European Commission in different areas such as health or the environment were exhibited. Two of our projects were exhibited at this event: The MSCA-IF project NanoQSAR consists of developing […]

PhD Position Marie Skłodowska-Curie

PhD Position Marie Skłodowska-Curie

Funded PhD Position with Academic & Industry Training  Marie Skłodowska-Curie H2020 Innovative Training Networks ProtoQSAR SL Ref. No. PQS-TOXIFATE-GA955830 Applications are invited from suitably qualified candidates for a full time, fixed term position as Early-Stage Researcher/PhD student (ESR) with ProtoQSAR company in Valencia (Spain) in collaboration with the National University of Ireland Galway. The position, funded by a Marie Skłodowska-Curie H2020 Innovative Training Networks grant is available from November 2022. The appointment will be on a temporary basis for a maximum period of eighteen months (regular full-time employment contract). The ESR will be hired by ProtoQSAR and enrolled at NUI Galway. Information on project/centre A call for one PhD position […]

Newsletter #1

Newsletter #1

Welcome to our first newsletter!  We are pleased to present the first issue of ProtoQSAR’s newsletter, a quarterly mail with the latest updates and relevant news about our company! In this first newsletter, we talk about the new online tool we’ve just released: ProtoICH, a web tool for predicting the mutagenicity of chemical compounds by using proprietary QSAR models. Moreover, we show you the latest updates about our EU-funded project #EcoCosmePharm and present our renovated YouTube Channel. ProtoICH release!  ProtoICH is a handy computational tool for evaluating the mutagenicity of chemical products. It also helps facilitate the registration process required for chemical products with regulatory agencies, particularly in the case of […]

Business Development

Business Development

Perfil de interés Persona especializada en área química-salud que quiera iniciarse en labores de desarrollo de negocio y comerciales (Business Development). Estudios en Farmacia, Biotecnología, Química, o similares, preferentemente con orientación al área de la salud. Interés por el desarrollo de negocio y/o acción comercial. Idiomas: español e inglés, nativo o alto nivel (oral y escrito) en ambos – imprescindible. Se valorarán otros idiomas. Experiencia y/o facilidad en el trato con terceras personas (clientes / colaboradoras). Creatividad, versatilidad, flexibilidad. Capacidad organizativa (capacidad para realizar múltiples tareas y priorizar las cargas de trabajo). Capacidad de trabajo en equipo. Se valorará: – Experiencia previa. – Formación complementaria en desarrollo de negocio y/o […]

Job Offer

Job Offer

We are looking for an experienced Physiologically-based pharmacokinetic (PBPK) modeler post-doctoral researcher to join ProtoQSAR in a 3-year Torres Quevedo contract. The aim of the candidate will be to develop computational PBPK predictive models for bioactive compounds, mainly drugs. ProtoQSAR–MolDrug is specialized in the design, optimization, valorization, and development of new compounds (small molecules, peptides, nanomaterials, mixtures…) through Machine Learning-powered chemoinformatics and structural bioinformatics (QSARs, molecular docking, molecular dynamics, etc.). Our tools allow for the prediction and assessment of physicochemical, biological, pharmacological, and/or (eco)toxicological properties of substances. We work in chemistry, regulatory toxicology, compound discovery, and development (biotech, pharma, veterinary, cosmetics, nutraceuticals, agrifood…). We have experience in 10+ international research […]

Normative ICH

Normative ICH

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 […]

Statistical techniques

Statistical techniques

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 […]

Molecular descriptors

Molecular descriptors

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 […]