AIMC Topic: Water
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Convolutional Embedding of Attributed Molecular Graphs for Physical Property Prediction.
Journal of chemical information and modeling
Jul 25, 2017
The task of learning an expressive molecular representation is central to developing quantitative structure-activity and property relationships. Traditional approaches rely on group additivity rules, empirical measurements or parameters, or generatio...
Integrating multisensor satellite data merging and image reconstruction in support of machine learning for better water quality management.
Journal of environmental management
Jun 28, 2017
Monitoring water quality changes in lakes, reservoirs, estuaries, and coastal waters is critical in response to the needs for sustainable development. This study develops a remote sensing-based multiscale modeling system by integrating multi-sensor s...
Comments on prediction of the aqueous solubility using the general solubility equation (GSE) versus a genetic algorithm and a support vector machine model.
Pharmaceutical development and technology
May 8, 2017
The general solubility equation (GSE) is the state-of-the-art method for estimating the aqueous solubilities of organic compounds. It is an extremely simple equation that expresses aqueous solubility as a function of only two inputs: the octanol-wate...
A two-stage fuzzy chance-constrained water management model.
Environmental science and pollution research international
Mar 30, 2017
In this study, an inexact two-stage fuzzy gradient chance-constrained programming (ITSFGP) method is developed and applied to the water resources management in the Heshui River Basin, Jiangxi Province, China. The optimization model is established by ...
A bio-inspired electrocommunication system for small underwater robots.
Bioinspiration & biomimetics
Mar 29, 2017
Weakly electric fishes (Gymnotid and Mormyrid) use an electric field to communicate efficiently (termed electrocommunication) in the turbid waters of confined spaces where other communication modalities fail. Inspired by this biological phenomenon, w...
Gradient Boosted Decision Tree Classification of Endophthalmitis Versus Uveitis and Lymphoma from Aqueous and Vitreous IL-6 and IL-10 Levels.
Journal of ocular pharmacology and therapeutics : the official journal of the Association for Ocular Pharmacology and Therapeutics
Feb 3, 2017
PURPOSE: To investigate the effectiveness of gradient boosting to classify endophthalmitis versus uveitis and lymphoma by intraocular cytokine levels.
In Silico Prediction of Physicochemical Properties of Environmental Chemicals Using Molecular Fingerprints and Machine Learning.
Journal of chemical information and modeling
Jan 9, 2017
There are little available toxicity data on the vast majority of chemicals in commerce. High-throughput screening (HTS) studies, such as those being carried out by the U.S. Environmental Protection Agency (EPA) ToxCast program in partnership with the...
Syntheses and antibacterial activity of soluble 9-bromo substituted indolizinoquinoline-5,12-dione derivatives.
European journal of medicinal chemistry
Dec 27, 2016
In our previous research, 9-bromo indolizinoquinoline-5,12-dione 1 has been found to be a good anti-MRSA agent. However, it had very low bioavailability in vivo possibly due to its low solubility in water. In order to obtain the derivatives with high...
Kinetics Extraction Modelling and Antiproliferative Activity of Water Extract.
TheScientificWorldJournal
Dec 26, 2016
is widely grown in tropical Asia and locally known "belalai gajah" or Sabah snake grass. It has been used as a natural product to treat skin rashes, snake bites, lesion caused by herpes, diabetes, fever, and cancer. Therefore, the objectives of this...
Human-in-the-loop active electrosense.
Bioinspiration & biomimetics
Dec 20, 2016
Active electrosense is a non-visual, short range sensing system used by weakly electric fish, enabling such fish to locate and identify objects in total darkness. Here we report initial findings from the use of active electrosense for object localiza...
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