Creative Biolabs is a forward-looking company as well as a leading customer service provider in the field of drug discovery. Our scientists specialized in virtual screening studies will work with you to develop a most appropriate strategy that will offer the most meaningful data for your research. We have experienced experts and advanced platforms that are able to provide excellent services on descriptor based screening.
Virtual screening plays an important role in the process of drug discovery. Previous studies have shown that virtual screening can effectively improve the hit identification rate of test compounds by three means: increasing the quality of drug candidates, optimizing the relevant molecules, as well as altering the molecular distribution of test compounds. Meanwhile, a wide variety of molecular descriptors, including 2D descriptors and 3D descriptors, have been widely used as an attractive tool for developing perfect virtual screening methods.
Furthermore, recently, scientists have indicated that 2D/3D descriptors contain many structure information that allows analyzing the similarities of molecules in computers. As a result, these descriptors have been efficiently used to collect large data sets, to evaluate the diversity of screened compounds, and to conduct structure-activity relationship (SAR) or quantitative SAR (QSAR) studies. Nowadays, the application of computer-aided techniques can accurately predict the clinical performance of test compounds based on 2D/3D descriptors. For example, PaDEL-Descriptor, a software for calculating molecular descriptors and fingerprints, has proven its advantages in predicting the topology, 3D shape, and functionality, as well as the biological activities and properties of novel compounds.
Fig.1 Descriptors Based Screening Services.
Virtual screening has been considered as a cost-saving and high-throughput screening strategies for predicting drug candidates in the drug discovery process. As a consequence, a number of molecular descriptors have been generated to significantly improve the prediction results of test compounds in drug design. As a famous CRO company in the world, Creative Biolabs has professional and experienced teams to offer customized molecular descriptors based on screening services for novel drug discovery studies. Currently, we have established a well-matured platform to mainly offer 2D Descriptors Based Screening and 3D Descriptors Based Screening services. With the help with us, clients can enjoy the outstanding advantages as below.
Fig.2 Workflow to obtain molecular descriptors of chemicals using the CDK, Indigo, and MOE module in KNIME. (Yin, 2014)
Creative Biolabs is a leader in the field of drug discovery and has focused on molecular descriptors based screening services for years. We have experienced experts and advanced platforms that are able to provide excellent services. If you are interested in our services, please feel free to contact us for closer communication to learn how we can be involved in your project. Separate services or integrated end-to-end solutions are all welcomed.
Reference
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