A quantitative structure-property relationship (QSPR) study is suggested for the prediction of retention times of volatile organic compounds. Various kinds of molecular descriptors were calculated to represent the molecular structure of compounds. Modeling of retention times of these compounds as a function of the theoretically derived descriptors was established by multiple linear regression (...

We investigate the analytical representation of potentials of mean force (pmf) using the Morse/long-range (MLR) potential approach. The MLR method had previously been used to represent potential energy surfaces, and we assess its validity for representing free-energies. The advantage of the approach is that the potential of mean force data only needs to be calculated in the short to medium rang...

The antiviral drugs that inhibit human immunodeficiency virus (HIV) entry to the target cells are already in different phases of clinical trials. They prevent viral entry and have a highly specific mechanism of action with a low toxicity profile. Few QSAR studies have been performed on this group of inhibitors. This study was performed to develop a quantitative structure-activity relationship (...

MLR, an extended LR parser, is introduced, and its application to natural language parsing is discussed. An LR parser is a ~;hift-reduce parser which is doterministically guided by a parsing table. A parsing table can be obtained automatically from a context-free phrase structure grammar. LR parsers cannot manage antl)iguous grammars such as natural language grammars, because their I)arsing tab...

The present work describes a comparison of the ability of multiple linear regression (MLR) and artificial neural networks (ANN) to predict fish spatial occupancy and abundance in a mesotrophic reservoir. Models were run and tested with 306 observations obtained by the sampling point abundance method using electrofishing. For each of the 306 samples, the relationships between physical parameters...

The purpose of this study was to implement a diffusion-weighted sequence for visualisation of mobile lipid resonances (MLR) using high resolution magic angle spinning (HR-MAS) (1)H MRS and to evaluate its use in establishing differences between tissues from patients with cervical carcinoma that contain cancer from those that do not. A stimulated echo sequence with bipolar gradients was modified...

BACKGROUND The prognostic values of preoperative neutrophil/lymphocyte ratio (NLR), monocyte/lymphocyte ratio (MLR), and platelet/lymphocyte ratio (PLR) in non-small cell lung cancer (NSCLC) have been previously described. This study assessed the prognostic values of other pretreatment complete blood cell parameters in Chinese patients with curatively resected NSCLC. METHODS A total of 1466 c...

BACKGROUND To investigate influencing factors of the metastatic lymph nodes ratio (MLR) and whether it is related to survival in patients with gastric adenocarcinoma. METHODS We retrospectively evaluated the clinical features of 121 patients with gastric adenocarcinoma enrolled in our hospital between 2000 and 2007. The receiver operating characteristic (ROC) curve was used to determine the c...

Quantitative structure-property relationship (QSPR) for estimating the adsorption of aliphatic alcohols onto activated carbon were developed using substructural molecular fragments (SMF) method. The adsorption capacity of activated carbon (gr/100grC) for 150 aliphatic alcohols onto activated carbon (AC) is studied under equilibrium conditions. Forward and backwards stepwise regression variable ...

BACKGROUND The middle latency response (MLR) can be a powerful tool for assessing integrity of cortical and subcortical auditory structures. Most research on the MLR, however, is constrained to relatively slow repetition rates by the time window necessary for response acquisition. Maximum length sequence (MLS) paradigms enable the recording of the MLR at high repetition rates, which could reduc...