The role of artificial intelligence in drug screening, drug design, and clinical trials.

The role of computational tools in drug discovery and development is becoming increasingly important due to the rapid development of computing power and advancements in computational chemistry and biology, improving research efficiency and reducing the costs and potential risks of preclinical and clinical trials. Machine learning, especially deep learning, a subfield of artificial intelligence (AI), has demonstrated significant advantages in drug discovery and development, including high-throughput and virtual screening, design of drug molecules, and solving difficult organic syntheses. This review summarizes AI technologies used in drug discovery and development, including their roles in drug screening, design, and solving the challenges of clinical trials.

An Efficient and Stable Registration Framework for Large Point Clouds at Two Different Moments.

Point cloud registration plays a great role in many application scenarios; however, the registration of large-scale point clouds for actual different moments suffers from the problems of low efficiency, low accuracy, and a lack of stability. In this paper, we propose a registration framework for large-scale point clouds at different moments, which firstly downsamples large-scale point clouds using a random sampling method, then performs a random expansion strategy to make up for the loss of information caused by the random sampling, then completes the first registration by a deep learning network based on the extraction of keypoints and feature descriptors in combination with RANSAC, and finally completes the registration using the point-to-point ICP method. We conducted validation experiments and application experiments on large-scale point clouds of key train components, and the experimental results are much higher in accuracy or efficiency than other methods, which proves the effectiveness of our framework, which can be applied to actual large-scale point clouds.

Improved Strong Tracking Cubature Kalman Filter for UWB Positioning.

For the problems of Non-Line-of-Sight (NLOS) observation errors and inaccurate predictive dynamics model in wireless ultra-wideband (UWB) positioning systems, an improved strong tracking cubature Kalman filter (ISTCKF) positioning algorithm is proposed in this paper. The main idea of the algorithm is as follows. First, the observations are reconstructed based on the weighted positioning results obtained from the predictive dynamics model and the least squares algorithm.

Characteristic functions based on a quantum jump trajectory.

Characteristic functions (CFs) provide a very efficient method for evaluating the probability density functions of stochastic thermodynamic quantities and investigating their statistical features in quantum master equations (QMEs). A conventional procedure for obtaining these functions is to resort to a first-principles approach; namely, the evolution equations of the CFs of the combined system and its environment are obtained and then projected into the degrees of freedom of the system. However, the QMEs can be unraveled by a quantum jump trajectory.

A formalized design process for bacterial consortia that perform logic computing.

The concept of microbial consortia is of great attractiveness in synthetic biology. Despite of all its benefits, however, there are still problems remaining for large-scaled multicellular gene circuits, for example, how to reliably design and distribute the circuits in microbial consortia with limited number of well-behaved genetic modules and wiring quorum-sensing molecules. To manage such problem, here we propose a formalized design process: (i) determine the basic logic units (AND, OR and NOT gates) based on mathematical and biological considerations; (ii) establish rules to search and distribute simplest logic design; (iii) assemble assigned basic logic units in each logic operating cell; and (iv) fine-tune the circuiting interface between logic operators.