نتایج جستجو برای: molecular descriptor
تعداد نتایج: 646588 فیلتر نتایج به سال:
Classifying color textures under varying illumination sources remains challenging. To address this issue, this paper introduces a new descriptor for color texture classification, which is robust to changes in the scene illumination. The proposed descriptor, named Color Intensity Local Mapped Pattern (CILMP), incorporates relevant information about the color and texture patterns from the image i...
Predicting molecular properties with Graph Neural Networks (GNNs) has recently drawn a lot of attention, compound toxicity prediction being one the biggest challenges. In cases where there is insufficient labeled molecule data, an effective approach to pre-train GNNs on large-scale unlabeled data and then fine-tune them for downstream tasks. Among pre-training strategies, node-level involves ma...
Two quantitative pKa prediction models for aliphatic carboxylic acids and for alcohols were developed by multiple linear-regression (MLR) analysis with empirical atomic descriptors. The acid and alcohol molecules were described by a set of five and four atomic descriptors, respectively. For the pKa model of 1122 aliphatic carboxylic acids, the squared correlation coefficient is 0.813 with a sta...
In the crystal structure of the title compound, C(10)H(22)O(2), co-operative chains of O-H⋯O hydrogen bonds are established by intra- as well as inter-molecular inter-actions. These hydrogen bonds connect the mol-ecules into infinite strands along [100], with a binary level graph-set descriptor C(2) (2)(4). Excluding the H atoms on the hydr-oxy groups, the mol-ecule shows non-crystallographic C...
In the title compound, C(12)H(11)N(3), the plane of the phenyl ring and the least-squares plane of the pyrrolidine ring enclose an angle of 14.30 (6)°. The intra-cyclic N atom features a nearly trigonal-planar coordination geometry due to π-inter-actions with the aromatic system. The pyrrolidine ring is present in a twist conformation for which the closest pucker descriptor is (C9)T(C8). Weak i...
Introduction: According to mortality rates in Iran, cardiovascular diseases, neoplasms, perinatal mortality, and respiratory tract diseases were top rate mortality in 2003(1382). To reduce mortality rate, Iranian medical community need to know more about recent therapeutic regimens. Two main medical databases are Pubmed and Embase. Researching Pubmed and Embase indexing methods and comparing Me...
Object recognition and sorting plays a key role in robotic systems, especially for the autonomous robots to implement object sorting tasks in a warehouse. In this paper, we present a global texture-shape 3D feature descriptor which can be utilized in a sorting system, and this system can perform object sorting tasks well. Our proposed descriptor stems from the clustered viewpoint feature histog...
This document presents an improved global descriptor, the Robust Visual Descriptor (RVD). Our proposed global descriptor results in an improvement of the overall performance of the Test Model TM6 in both pairwise matching and retrieval, showing exceptional performance improvements in the non-planar 3D objects experiments, where the TM currently underperforms. Furthermore, our proposed global de...
By using the wavelet transform, we develop a hierarchical planar curve descriptor that decomposes a curve into components of different scales so that the coarsest scale components carry the global approximation information while the finer scale components contain the local detailed information. We show that the wavelet descriptor has many desirable properties such as multiresolution representat...
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