Biotechnology - R&D Services


Pharmacelera helps you increasing the chemical diversity of your leads applying disruptive in-silico technologies and artificial intelligence in your drug discovery projects. Pharmacelera is the creator of PharmScreen®, a unique tool for hit identification based on more than 20 years of research. In addition, Pharmacelera provides Computer Aided Drug Discovery (CADD) consultancy and ad-hoc services for biotechnological and pharmaceutical organizations and research groups.


Services: We provide computational chemistry services to those organizations that require such skills. Our cross-disciplinary and experienced team of computational chemists, bioinformaticians, medicinal chemists and engineers can provide you outstanding results using our superior and proprietary benchmarked technology and boost your drug discovery projects. We implement tailor-made solutions for your discovery project in the Target-to-Hit, Hit-to-Lead (H2L) and Lead Optimization (LO) phases by our in-silico capabilities. We break our work into individual tasks with independent Go/No-Go decision points in order to de-risk your project and have the flexibility that matches your needs. This strategy, in conjunction with the use of our superior, proprietary and benchmarked technology, provides better results, boosting your drug discovery projects.


Software: PharmScreen® is a field-based virtual screening software package designed to find candidate molecules with larger chemical diversity from proprietary, public or commercial compound libraries. Our tool uses a unique and superior 3D representation of molecules based on interaction fields derived from semi-empirical Quantum-Mechanics (QM) calculations. Such fields describe with high accuracy the factors that determine ligand / receptor interactions and allow identifying candidate molecules with different and diverse molecular scaffolds. This methodology has been published in peer-reviewed scientific journals and can be out-licensed via three flexible solutions: SaaS, on-site licenses and KNIME modules.