Creative Biolabs is pleased to share our cutting-edge technology and extensive expertise in the field of virtual screening with our customers. We have established the utmost efficient integrated solutions to innovate and accelerate your drug discovery projects for various types of diseases, especially for malignant tumors. Currently, we offer high-quality customized services to develop well-validated and highly published 2D descriptors based on screening methods with your target-of-interest.
In recent years, molecular descriptors have been developed to predict the interaction between structures and properties of various drug candidates. Meanwhile, pilot studies have shown that 2D descriptors play an important role in analyzing the safety and efficacy of a test compound in computer-based drug discovery. 2D descriptors are classified as linear descriptors and tree-type descriptors. Similarly, linear descriptors are again classified as binary and real-valued descriptors. There are two categories in binary descriptors, namely structural keys and molecular fingerprints. Whereas feature tree and MTree are considered as tree-type descriptors.
Nowadays, 2D descriptors are available from many kinds of software, and the web-based tool for 2D descriptors generation has been established as well. For example, 2D topological descriptors, such as Balaban, BCUT, have been used to calculate chemical property and activity of test compounds. Moreover, a selection of tools, including PaDEL-Descriptor, MOLD2, have been generated to candidate analysis. In addition, recent researchers have demonstrated that Mold2 descriptors have become a better model for small data sets and large databases in virtual screening.
Fig.1 2D Descriptors Based Screening.
In order to improve the success rate of drug development, it is critical to assess the safety, chemical activity, and ADME properties of drug candidates before clinical trials. A large number of compounds have been handed by virtual screening, and methods for activity/toxicity prediction have been also described, using different types of molecular descriptors, including 2D descriptors. Currently, these descriptors have been merged into many computer-aided tools, such as DRAGON and BlueDesc, for predicting the clinical success of lead compounds.
As an expert in drug discovery, Creative Biolabs offers a wide collection of 2D descriptors based on screening services for our worldwide customers. For instance, we have successfully predicted the biological activity of several drug candidates by the DRAGON software of 2D molecular descriptors. Furthermore, Mold2 software has been also used to rapidly calculate the 2D chemical structure. Additionally, the data derived from 2D topological molecular descriptors have indicated that they should be beneficial to drug design for treating a number of human diseases.
Creative Biolabs provides a series of 2D descriptors based on screening services for our clients all over the world. Equipped with a team of professional scientists, we are capable of providing you with a wide spectrum of customized services on drug design, safety evaluation, and drug discovery. We can accommodate the specific properties of your project and provide flexible integrated solutions. If you are interested in our services, please feel free to contact us to get more information and a quote for your project.
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