Computer models to optimize drug discovery and drug development
CompanyProtoQSAR, Valencia, Spain
ProtoQSAR is a company that specializes in the development of computer-based methods to optimize drug discovery. To analyse and evaluate the compounds to be tested, two different mathematical calculation approaches (“molecular modelling” and “chemical informatics”) are used, depending on the input information. To search for suitable drug candidates, ProtoQSAR uses a virtual screening technology that enables the evaluation of large quantities of molecules. The ProtoPRED platforms can be used for different areas and phases of drug discovery and drug development. In addition to the identification of new active ingredients, they enable the therapeutic repositioning of drugs, the prediction of pharmacokinetic and toxicological properties (such as ADME behaviour, assessment of cytotoxicity and genotoxicity), as well as the design of non-structural (pharmacophoric) drug analogues that are not protected by previous patents. The newly acquired information can be stored in so-called focused libraries and thus taken into account in future calculations. In addition to the various services, ProtoQSAR offers courses where researchers can learn to program their own QRSA mathematical models.
ProtoPRED
info@protoqsar.com
Added on: 11-22-2023
[1] https://protoqsar.com/servicios-diseno-computacional/[2] https://protopred.protoqsar.com/
