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Titlebook: Advances in QSAR Modeling; Applications in Phar Kunal Roy Book 2017 Springer International Publishing AG 2017 Quantitative Structure-Activi

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發(fā)表于 2025-3-21 20:08:42 | 只看該作者 |倒序?yàn)g覽 |閱讀模式
期刊全稱Advances in QSAR Modeling
期刊簡(jiǎn)稱Applications in Phar
影響因子2023Kunal Roy
視頻videohttp://file.papertrans.cn/150/149515/149515.mp4
發(fā)行地址An interdisciplinary overview of recent advances in methodology and all areas of QSAR applications.Includes traditional and non-traditional applications of QSAR found in Food Science and Nanoscience.O
學(xué)科分類Challenges and Advances in Computational Chemistry and Physics
圖書封面Titlebook: Advances in QSAR Modeling; Applications in Phar Kunal Roy Book 2017 Springer International Publishing AG 2017 Quantitative Structure-Activi
影響因子The book covers theoretical background and methodology as well as all current applications of Quantitative Structure-Activity Relationships (QSAR). Written by an international group of recognized researchers, this edited volume discusses applications of QSAR in multiple disciplines such as chemistry, pharmacy, environmental and agricultural sciences addressing data gaps and modern regulatory requirements. Additionally, the applications of QSAR in food science and nanoscience have been included – two areas which have only recently been able to exploit this versatile tool..?.This timely addition to the series is aimed at graduate students, academics and industrial scientists interested in the latest advances and applications of QSAR..
Pindex Book 2017
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The Maximum Common Substructure (MCS) Search as a New Tool for SAR and QSARres of this software are: (I) the process of the MCSs between two molecules represented as graphs and (II) the detection and the graphical representation of the dissimilar substructures that are identified in the target and the source molecules. The user may consequently quantify the properties and
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Generative Topographic Mapping Approach to Chemical Space Analysisitial molecular descriptors and user-defined mapping parameters. This multi-purpose “Swiss army knife” of dimensionality reduction may furthermore extract “privileged” structural patterns associated to bioactivities of interest, and hence contribute to an intuitive understanding of structure-activit
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Quantitative Structure-Epigenetic Activity Relationshipsactivity cliff generators and their relevance to develop QSAR models. Computational methods applied to elucidate Quantitative Structure-Epigenetic Activity Relationships are in line with the increasing and developing research area of Epi-informatics.
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QSAR/QSPR Modeling in the Design of Drug Candidates with Balanced Pharmacodynamic and Pharmacokinetiroaches, for in vitro permeability predictions, predictions for human intestinal absorption and blood brain barrier penetration, as well as for plasma protein binding and drug metabolism. The value of global and local models as well as their interpretability and the criteria for their evaluation and
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Strategy for Identification of Nanomaterials’ Critical Properties Linked to Biological Impacts: Inteal systems . is central, in order to enable both prediction of impacts from related NMs [via quantitative property-activity or structure-activity relationships (QPARs/QSARs)] and development of strategies to ensure that these features are avoided in NM production in the future (“safety by design”).
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Counter-Propagation Artificial Neural Network Models for Prediction of Carcinogenicity of Non-congen. CP ANN algorithm represents a suitable tool for modeling of complex biological data like carcinogenicity. We emphasized on the representation of key development steps needed to be involved in model construction to meet requirement of five OECD principles. First of all, it reported the description
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