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    MOLware SL was founded in 2004 and is specialized in Pattern Recognition, Data Analysis and Software Development. This expertise has been successfully applied into molecular design and discovery of new molecules for the pharmaceutical and chemical industries, such as new improved drugs and catalysts for green chemistry industrial applications.

    Our technology is suited to combinatorial chemistry and library design.

    MOLware also provides computer programs or modules for virtual screening in different research lines, either generic or especially designed. These programs allow, for instance, extracting the potential active substances in a database of molecular structures.

    In the current molecular design projects, the use of similar train sets and the same commercial software results in similar selected molecular structures. Since the molecular design method we use is not available through other commercial software, MOLware can explore the molecular structure space with enhanced probabilities of finding true novel potentially active chemical structures.

    MOLware offers joint venture collaboration in the development of research projects in other fields of pattern recognition and programming research. We also provide contract research services and operate collaborative R&D programs.

    Current projects include the development of mobile programming software for bio-agronomic applications.

  • Author

    Business Model & Services

    MOLware seeks to exploit the potential of its proprietary technology through alliances, partnerships and licensing agreements with pharmaceutical, technological and chemical companies.

    In the field of molecular design, MOLware is open to several partnership models, ranging from shared cost/shared benefits to licensing of the technology for use with a specific group of molecules (research fees, option/license fees, milestones, royalties).

    MOLware also offers the following services:

         » Online screening
         » Virtual screening
         » Virtual screening software modules
         » Pattern recognition software modules
         » Tailored software modules & support
         » Custom software development & programming services
         » Data mining - data analysis - pattern recognition
         » Screening of client’s libraries
         » Ordering of client’s libraries
         » Labelled libraries
         » REACH compliment
         » (Q)SAR for registering of new agricultural substances
         » Prediction of pharmacokinetic properties / bioavailability
         » Programming support for research groups in project consortia including web design and mobile programming services
  • Virtual Screening

    Virtual Screening

    In a Virtual Screening, a set of molecular structures is subjected to a computational analysis to reveal potential bioactive compounds. Virtual Screening requires, as a fundamental tool, a theoretical model able to evaluate the possibility of pharmacological activity of the compounds represented in a virtual library.
    It results in a filtered set of chemical structures ready to be tested in vitro or in vivo with high probability of success.
    Virtual Screening can be done over a catalogue of chemical structures or a client library, to search potential activities of the structures in the set. The result is a labelled library.
    The Virtual Screening concept is also applied to other fields such as catalysts discovery.


  • Demonstration

    Draw your molecular structure on the screen. Then click DONE. The molecular structure will be virtually screened by using some of our models and a report on probable activities will be displayed. The properties available for the demo version are: analgesic activity, antibacterial activity, antiviral activity, alfa-agonistic, alfa-blocker, beta-agonistic, beta-blocker, antianginal, antineoplastic, polymer plastifier, and agricultural antifungal.

    Section under construction

  • Price List

    Order Form

    Number of structures
    Number of properties to be screened
    Molecule format
    Total price -
  • Order Form

    Order Form