BACKGROUND: Tinidazole (TNZ) is an anti-parasite drug used in the treatment of a variety of amebic and parasitic infections. It has low solubility in aqueous media and is categorized under Class II of the Biopharmaceutical Classification System.
Boosting is a family of supervised learning algorithm that convert a set of weak learners into a single strong one. It is popular in the field of object tracking, where its main purpose is to extract the position, motion, and trajectory from various ...
Journal of chemical information and modeling
31025861
Traditionally, chemists have relied on years of training and accumulated experience in order to discover new molecules. But the space of possible molecules is so vast that only a limited exploration with the traditional methods can be ever possible. ...
Molecular dynamics simulation was performed on sugar profile and moisture content-based mixture systems of six Indian honey samples. Comparative studies were performed to understand the interactive effects of fructose, glucose, sucrose, maltose and w...
Protein-crystallization imaging and classification is a labor-intensive process typically performed either by humans or by instruments that currently cost well over $100 000. This cost puts the use of crystallization-trial imaging outside the reach o...
Journal of chemical information and modeling
31644279
The surface energy of inorganic crystals is important in understanding experimentally relevant surface properties and designing materials for many applications. Predictive methods and data sets exist for surface energies of monometallic crystals. How...
Journal of chemical information and modeling
31860296
Nowadays the development of new functional materials/chemical compounds using machine learning (ML) techniques is a hot topic and includes several crucial steps, one of which is the choice of chemical structure representation. The classical approach ...
Bone morphogenetic protein-2 (BMP-2) is a key regulator of bone formation, growth and regeneration, which contains a conformational wrist epitope and a linear knuckle epitope that are functionally responsible for the protein by mediating its interact...
IEEE/ACM transactions on computational biology and bioinformatics
31027046
Improving the accuracy of predicting protein crystallization is very important for protein crystallization projects, which is a critical step for the determination of protein structure by X-ray crystallography. At present, many machine learning metho...
IEEE/ACM transactions on computational biology and bioinformatics
31751248
X-ray crystallography is the most popular approach for analyzing protein 3D structure. However, the success rate of protein crystallization is very low (2-10 percent). To reduce the cost of time and resources, lots of computation-based methods are de...