Multilayer Perceptron-Based Error Compensation for Automatic On-the-Fly Camera Orientation Estimation Using a Single Vanishing Point from Road Lane.

This study introduces a multilayer perceptron (MLP) error compensation method for real-time camera orientation estimation, leveraging a single vanishing point and road lane lines within a steady-state framework. The research emphasizes cameras with a roll angle of 0°, predominant in autonomous vehicle contexts. The methodology estimates pitch and yaw angles using a single image and integrates two Kalman filter models with inputs from image points (u, v) and derived angles (pitch, yaw). Performance metrics, including avgE, minE, maxE, ssE, and Stdev, were utilized, testing the system in both simulator and real-vehicle environments. The outcomes indicate that our method notably enhances the accuracy of camera orientation estimations, consistently outpacing competing techniques across varied scenarios. This potency of the method is evident in its adaptability and precision, holding promise for advanced vehicle systems and real-world applications.

Prediction of chemical warfare agents based on cholinergic array type meta-predictors.

Molecular insights into chemical safety are very important for sustainable development as well as risk assessment. This study considers how to manage future upcoming harmful agents, especially potentially cholinergic chemical warfare agents (CWAs). For this purpose, the structures of known cholinergic agents were encoded by molecular descriptors. And then each drug target interaction (DTI) was learned from the encoded structures and their cholinergic activities to build DTI classification models for five cholinergic targets with reliable statistical validation (ensemble-AUC: up to 0.790, MCC: up to 0.991, accuracy: up to 0.995). The collected classifiers were transformed into 2D or 3D array type meta-predictors for multi-task: (1) cholinergic prediction and (2) CWA detection. The detection ability of the array classifiers was verified under the imbalanced dataset between CWAs and none CWAs (area under the precision-recall curve: up to 0.997, MCC: up to 0.638, F1-score of none CWAs: up to 0.991, F1-score of CWAs: up to 0.585).

The comparison of automated clustering algorithms for resampling representative conformer ensembles with RMSD matrix.

BACKGROUND: The accuracy of any 3D-QSAR, Pharmacophore and 3D-similarity based chemometric target fishing models are highly dependent on a reasonable sample of active conformations. Since a number of diverse conformational sampling algorithm exist, which exhaustively generate enough conformers, however model building methods relies on explicit number of common conformers. RESULTS: In this work, we have attempted to make clustering algorithms, which could find reasonable number of representative conformer ensembles automatically with asymmetric dissimilarity matrix generated from openeye tool kit. RMSD was the important descriptor (variable) of each column of the N × N matrix considered as N variables describing the relationship (network) between the conformer (in a row) and the other N conformers. This approach used to evaluate the performance of the well-known clustering algorithms by comparison in terms of generating representative conformer ensembles and test them over different matrix transformation functions considering the stability. In the network, the representative conformer group could be resampled for four kinds of algorithms with implicit parameters. The directed dissimilarity matrix becomes the only input to the clustering algorithms. CONCLUSIONS: Dunn index, Davies-Bouldin index, Eta-squared values and omega-squared values were used to evaluate the clustering algorithms with respect to the compactness and the explanatory power. The evaluation includes the reduction (abstraction) rate of the data, correlation between the sizes of the population and the samples, the computational complexity and the memory usage as well. Every algorithm could find representative conformers automatically without any user intervention, and they reduced the data to 14-19% of the original values within 1.13 s per sample at the most. The clustering methods are simple and practical as they are fast and do not ask for any explicit parameters. RCDTC presented the maximum Dunn and omega-squared values of the four algorithms in addition to consistent reduction rate between the population size and the sample size. The performance of the clustering algorithms was consistent over different transformation functions. Moreover, the clustering method can also be applied to molecular dynamics sampling simulation results.