pharmacelera

Pushing the limits of computational chemistry

Improving pharmaceutical R+D productivity through a lean drug discovery process based on cutting-edge computational technologies.

We develop proprietary Computer-Aided Drug Design software based on accurate Quantum-Mechanics algorithms, Machine Learning and High-Performance Computing (HPC) derived from more than 25 years of research.

In a lean drug discovery model, more resources are invested in the early stages of drug discovery (agile and cheap), where computers are used to model biology and chemistry. This allows for better prediction, testing, and learning cycles, and feeding the later development stages (long and expensive), with candidate molecules with higher chances to succeed.

Our methodology that mines an unexploited chemical space, finding starting points with larger chemical diversity, will enable the development of new therapies for unmet medical needs and the research of new treatments. We help companies in Target Identification, Hit-Identification, Hit-to-Lead and Lead Optimization drug discovery stages by finding novel hits, improving ligand binding properties (ADME, Tox, etc.), obtaining insights of ligand/receptor interactions and identifying original backup compounds.

CADD
Computed Aided Drug Design
AI & ML
Artificial Intelligence & Machine Learning
HPC
High Performance Computing

Software

Multi-platform software solutions using proprietary algorithms designed to explore a larger and more diverse chemical space.

A field-based virtual screening software package designed to find candidate molecules with larger chemical diversity from proprietary, public or commercial compound libraries.

A 3D Quantitative Structure-Activity Relationship (QSAR) software package that builds statistical models (CoMFA, CoMSIA and HyPhar) based on data obtained from experimental assays.

A field-based virtual screening software package designed to find candidate molecules with larger chemical diversity from proprietary, public or commercial compound libraries.

A 3D Quantitative Structure-Activity Relationship (QSAR) software package that builds statistical models (CoMFA, CoMSIA and HyPhar) based on data obtained from experimental assays.

Services

Our cross-disciplinary and experienced team of medicinal & computational chemists, bioinformaticians, pharmacists, and engineers provides outstanding results using our superior and proprietary benchmarked technology.

Every discovery project, from Target-to-Hit, Hit-to-Lead (H2L) and Lead Optimization (LO), sees our in-silico capabilities applied in a unique and tailor-made way. Individual tasks with independent Go/No-Go decisions ensure the de-risking of our customer’s projects. In conjunction with our superior, proprietary and benchmarked technology, the flexibility to match your needs will give your drug discovery project the boost you envision.

Pharmacelera provides computational chemistry services to:

SMALL BIOTECH COMPANIES  |  BIG PHARMA R+D DPT.  |  PUBLIC RESEARCH INSTITUTIONS  |  PUBLIC PROVIDERS (CROs).

DISCOVER ALL THE SERVICES WE OFFER

ACCURATE QUANTUM MECHANICS METHODS

FINDING HITS WITH MORE CHEMICAL DIVERSITY

MINING A HUGE AND SYNTHESIZABLE CHEMICAL SPACE

3D MOLECULAR DESCRIPTORS FOR MACHINE LEARNING

Science

Science is encoded in the DNA of Pharmacelera. Computational and medicinal chemistry, machine learning and artificial intelligence, quantum mechanics and high performance computing are  some of the multiple skills of our team. Our solutions and services range from the search of new ideas for your medicinal chemistry teams or new chemical and synthesizable matter, to the use of precise descriptors applicable to predicting pharmacological properties using machine learning.  

LEARN MORE ABOUT THE SCIENCE IN PHARMACELERA

We believe that collaborations are the appropriate mechanism to build solutions with greater impact. Hence, we are a company that is always looking for win-win collaborations and partnerships with organizations that share our mission and values.

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Testimonials

Contact

Please get in touch and our team of experts will answer all your questions.

CONTACT INFORMATION

HEADQUARTERS

Torre R, 4a planta, Despatx A05, Parc Científic de Barcelona (PCB). C/ Baldiri Reixac 4-8 08028 Barcelona

ITALY S-IN Soluzioni Informatiche

Contact: Luca Sartori
Via G. Ferrari 14, 36100 Vicenza - Italy

Download PharmScreen Brochure

Get PharmScren brochure by filling out the following form. Learn about:

  • The importance of chemical diversity
  • Pharmscreen applications and features
  • Case studies
  • PharmScreen technology
Pharmscreen virtual screening software

Request a trial

To better understand your scientific needs and how our technology can help you, please complete the following form and a member of our team will contact you shortly.

We want you to take advantage of our solutions from the very first minute. To that end, we will offer you the possibility of a free live demonstration with our team.

If you are interested in a customized solution for your research, please use our contact form.

Download PharmQSAR Brochure

Get PharmQSAR brochure by filling out the following form. Learn about:

  • PharmQSAR applications
  • PharmQSAR features
  • PharmQSAR technology
PharmQSAR

Contact

CONTACT INFORMATION

HEADQUARTERS

Torre R, 4a planta, Despatx A05, Parc Científic de Barcelona (PCB). C/ Baldiri Reixac 4-8 08028 Barcelona

ITALY S-IN Soluzioni Informatiche

Contact: Luca Sartori
Via G. Ferrari 14, 36100 Vicenza - Italy

Find us next

We will be attending the next GRC – Medicinal Chemistry in New London, US.