cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.6084/m9.figshare.1416196.v1
title: Markush structure for 1,2

description: Markush structure for 3,4
DOI: 10.6084/m9.figshare.1416199.v1
title: Markush structure for 14,15,16

description: Markush structure for 14,15,16
DOI: 10.6084/m9.figshare.1416192
title: 3D

description: 3D
DOI: 10.6084/m9.figshare.1416193.v1
title: 3D

description: 3D
DOI: 10.6084/m9.figshare.1416191
title: 3D

description: 3D
DOI: 10.6084/m9.figshare.1416192.v1
title: 3D

description: 3D
DOI: 10.6084/m9.figshare.1416194.v1
title: descriptor data

description: descriptor data
DOI: 10.6084/m9.figshare.1416188
title: 3D

description: 3D
DOI: 10.6084/m9.figshare.1416189
title: 3D

description: 3D
DOI: 10.6084/m9.figshare.1416190
title: 3D

description: 3D
DOI: 10.6084/m9.figshare.1416189.v1
title: 3D

description: 3D
DOI: 10.6084/m9.figshare.1416191.v1
title: 3D

description: 3D
DOI: 10.6084/m9.figshare.1416186
title: 3D

description: 3D
DOI: 10.6084/m9.figshare.1416188.v1
title: 3D

description: 3D
DOI: 10.6084/m9.figshare.1416190.v1
title: 3D

description: 3D
DOI: 10.6084/m9.figshare.1416184
title: 3D

description: 3D
DOI: 10.6084/m9.figshare.1416184.v1
title: 3D

description: 3D
DOI: 10.6084/m9.figshare.1416185
title: 3D

description: 3D
DOI: 10.6084/m9.figshare.1416186.v1
title: 3D

description: 3D
DOI: 10.6084/m9.figshare.1416182
title: 3D

description: 3D
DOI: 10.6084/m9.figshare.1416183
title: 3D

description: 3D
DOI: 10.6084/m9.figshare.1416180
title: 3D

description: 3D
DOI: 10.6084/m9.figshare.1416185.v1
title: 3D

description: 3D
DOI: 10.6084/m9.figshare.1416179
title: 3D

description: 3D
DOI: 10.6084/m9.figshare.1416180.v1
title: 3D

description: 3D
DOI: 10.6084/m9.figshare.1416181
title: 3D

description: 3D
DOI: 10.6084/m9.figshare.1416182.v1
title: 3D

description: 3D
DOI: 10.6084/m9.figshare.1416178
title: 3D

description: 3D
DOI: 10.6084/m9.figshare.1416179.v1
title: 3D

description: 3D
DOI: 10.6084/m9.figshare.1416181.v1
title: 3D

description: 3D
DOI: 10.6084/m9.figshare.1416183.v1
title: 3D

description: 3D
DOI: 10.6084/m9.figshare.1416176
title: 3D

description: 3D
DOI: 10.6084/m9.figshare.1416177
title: 3D

description: 3D
DOI: 10.6084/m9.figshare.1416174
title: 3D

description: 3D
DOI: 10.6084/m9.figshare.1416175
title: 3D

description: 3D
DOI: 10.6084/m9.figshare.1416177.v1
title: 3D

description: 3D
DOI: 10.6084/m9.figshare.1416178.v1
title: 3D

description: 3D
DOI: 10.6084/m9.figshare.1416175.v1
title: 3D

description: 3D
DOI: 10.6084/m9.figshare.1416172
title: 3D

description: 3D
DOI: 10.6084/m9.figshare.1416173
title: 3D

description: 3D
DOI: 10.6084/m9.figshare.1416174.v1
title: 3D

description: 3D
DOI: 10.6084/m9.figshare.1416176.v1
title: 3D

description: 3D
DOI: 10.6084/m9.figshare.1416170
title: 3D

description: 3D
DOI: 10.6084/m9.figshare.1416171
title: 3D

description: 3D
DOI: 10.6084/m9.figshare.1416172.v1
title: 3D

description: 3D
DOI: 10.6084/m9.figshare.1416169
title: 3D

description: 3D
DOI: 10.6084/m9.figshare.1416171.v1
title: 3D

description: 3D
DOI: 10.6084/m9.figshare.1416173.v1
title: 3D

description: 3D
DOI: 10.6084/m9.figshare.1416168
title: 3D

description: 3D
DOI: 10.6084/m9.figshare.1416170.v1
title: 3D

description: 3D
DOI: 10.6084/m9.figshare.1416169.v1
title: 3D

description: 3D
DOI: 10.6084/m9.figshare.1416165
title: 2D

description: 2D
DOI: 10.6084/m9.figshare.1416166
title: 2D

description: 2D
DOI: 10.6084/m9.figshare.1416166.v1
title: 2D

description: 2D
DOI: 10.6084/m9.figshare.1416161
title: 2D

description: 2D
DOI: 10.6084/m9.figshare.1416165.v1
title: 2D

description: 2D
DOI: 10.6084/m9.figshare.1416159
title: 2D

description: 2D
DOI: 10.6084/m9.figshare.1416160
title: 2D

description: 2D
DOI: 10.6084/m9.figshare.1416161.v1
title: 2D

description: 2D
DOI: 10.6084/m9.figshare.1416160.v1
title: 2D

description: 2D
DOI: 10.6084/m9.figshare.1416159.v1
title: 2D

description: 2D
DOI: 10.6084/m9.figshare.1416155
title: 2D

description: 2D
DOI: 10.6084/m9.figshare.1416155.v1
title: 2D

description: 2D
DOI: 10.6084/m9.figshare.1416153
title: 2D

description: 2D
DOI: 10.6084/m9.figshare.1416152
title: 2D

description: 2D
DOI: 10.6084/m9.figshare.1416154
title: 2D

description: 2D
DOI: 10.6084/m9.figshare.1416151
title: 2D

description: 2D
DOI: 10.6084/m9.figshare.1416153.v1
title: 2D

description: 2D
DOI: 10.6084/m9.figshare.1416154.v1
title: 2D

description: 2D
DOI: 10.6084/m9.figshare.1416151.v1
title: 2D

description: 2D
DOI: 10.6084/m9.figshare.1416152.v1
title: 2D

description: 2D
DOI: 10.6084/m9.figshare.1416147
title: 2D

description: 2D
DOI: 10.6084/m9.figshare.1416146
title: 2D

description: 2D
DOI: 10.6084/m9.figshare.1416148
title: 2D

description: 2D
DOI: 10.6084/m9.figshare.1416149
title: 2D

description: 2D
DOI: 10.6084/m9.figshare.1416150
title: 2D

description: 2D
DOI: 10.6084/m9.figshare.1416148.v1
title: 2D

description: 2D
DOI: 10.6084/m9.figshare.1416145
title: 2D

description: 2D
DOI: 10.6084/m9.figshare.1416146.v1
title: 2D

description: 2D
DOI: 10.6084/m9.figshare.1416147.v1
title: 2D

description: 2D
DOI: 10.6084/m9.figshare.1416150.v1
title: 2D

description: 2D
DOI: 10.6084/m9.figshare.1416149.v1
title: 2D

description: 2D
DOI: 10.6084/m9.figshare.1416141
title: 2D

description: 2D
DOI: 10.6084/m9.figshare.1416142
title: 2D

description: 2D
DOI: 10.6084/m9.figshare.1416143
title: 2D

description: 2D
DOI: 10.6084/m9.figshare.1416144
title: 2D

description: 2D
DOI: 10.6084/m9.figshare.1416144.v1
title: 2D

description: 2D
DOI: 10.6084/m9.figshare.1416145.v1
title: 2D

description: 2D
DOI: 10.6084/m9.figshare.1416141.v1
title: 2D

description: 2D
DOI: 10.6084/m9.figshare.1416142.v1
title: 2D

description: 2D
DOI: 10.6084/m9.figshare.1416143.v1
title: 2D

description: 2D
DOI: 10.6084/m9.figshare.1416138
title: 2D

description: 2D
DOI: 10.6084/m9.figshare.1416140
title: 2D

description: 2D
DOI: 10.6084/m9.figshare.1416136
title: Descriptors Generated

description: Excel spreadsheet of all the descriptors used, including ones 'by hand', training set used and the test set used
DOI: 10.6084/m9.figshare.1416137
title: Descriptors Provided

description: Excel Spreadsheet of the descriptors provided
DOI: 10.6084/m9.figshare.1416138.v1
title: 2D

description: 2D
DOI: 10.6084/m9.figshare.1416140.v1
title: 2D

description: 2D
DOI: 10.6084/m9.figshare.1416135
title: Question 4 Answers

description: Word document including the answers to question 4, Markush Structures, and table including LnChI and 3D structures of selected compounds
DOI: 10.6084/m9.figshare.1416134
title: Outline of CHEM 6128 Mini Project

description: Outline of the project
DOI: 10.6084/m9.figshare.1416136.v1
title: Descriptors Generated

description: Excel spreadsheet of all the descriptors used, including ones 'by hand', training set used and the test set used
DOI: 10.6084/m9.figshare.1416133
title: Full Report

description: Full Report of the project carried out, including screenshots and less concise workings
DOI: 10.6084/m9.figshare.1416134.v1
title: Outline of CHEM 6128 Mini Project

description: Outline of the project
DOI: 10.6084/m9.figshare.1416135.v1
title: Question 4 Answers

description: Word document including the answers to question 4, Markush Structures, and table including LnChI and 3D structures of selected compounds
DOI: 10.6084/m9.figshare.1416130
title: Paper (Synthesis of Malarial Plasmepsin Inhibitors - Ersmark)

description: Paper upon which the project was based
DOI: 10.6084/m9.figshare.1416131
title: Table of SMILES for compounds listed

description: Table including the SMILES strings for the compounds listed in the paper
DOI: 10.6084/m9.figshare.1416133.v1
title: Full Report

description: Full Report of the project carried out, including screenshots and less concise workings
DOI: 10.6084/m9.figshare.1416129
title: Three Page Report on the Project

description: Three page report on the CHEM6128 project
DOI: 10.6084/m9.figshare.1416130.v1
title: Paper (Synthesis of Malarial Plasmepsin Inhibitors - Ersmark)

description: Paper upon which the project was based
DOI: 10.6084/m9.figshare.1416131.v1
title: Table of SMILES for compounds listed

description: Table including the SMILES strings for the compounds listed in the paper
DOI: 10.6084/m9.figshare.1416128
title: The Lens of Intrinsic Skill Atoms: A Method for Gameful Design

description: The idea that game design can inspire the design of motivating, enjoyable interactive systems has a long history in human-computer interaction. It currently experiences a renaissance as <i>gameful design</i>, often implemented through <i>gamification</i>, the use of game design elements in nongame contexts. Yet there is little research-based guidance on designing gameful systems. This article therefore reviews existing methods and identifies challenges and requirements for gameful design. It introduces a gameful design method that uses skill atoms and design lenses to identify challenges inherent in a user’s goal pursuit and restructure them to afford gameplay-characteristic motivating, enjoyable experiences. Two case studies illustrate the method. The article closes by outlining how gameful design might inform experience-driven design more generally.
DOI: 10.6084/m9.figshare.1416051
title: historical access log information files

description: Based on the problem that small files cannot be further split into sevral small blocks to distribute those blocks among multiple storage nodes for parallel I/O. Algorithm proposed a complete theoretical system for the distributed storage of small files using their historical access log information.
DOI: 10.6084/m9.figshare.1416128.v1
title: The Lens of Intrinsic Skill Atoms: A Method for Gameful Design

description: The idea that game design can inspire the design of motivating, enjoyable interactive systems has a long history in human-computer interaction. It currently experiences a renaissance as <i>gameful design</i>, often implemented through <i>gamification</i>, the use of game design elements in nongame contexts. Yet there is little research-based guidance on designing gameful systems. This article therefore reviews existing methods and identifies challenges and requirements for gameful design. It introduces a gameful design method that uses skill atoms and design lenses to identify challenges inherent in a user’s goal pursuit and restructure them to afford gameplay-characteristic motivating, enjoyable experiences. Two case studies illustrate the method. The article closes by outlining how gameful design might inform experience-driven design more generally.
DOI: 10.6084/m9.figshare.1416129.v1
title: Three Page Report on the Project

description: Three page report on the CHEM6128 project
DOI: 10.6084/m9.figshare.1416051.v1
title: historical access log information files

description: Based on the problem that small files cannot be further split into sevral small blocks to distribute those blocks among multiple storage nodes for parallel I/O. Algorithm proposed a complete theoretical system for the distributed storage of small files using their historical access log information.
DOI: 10.6084/m9.figshare.1415963
title: Air Quality and Climate Connections

description: Multiple linkages connect air quality and climate change. Many air pollutant sources also emit carbon dioxide (CO<sub>2</sub>), the dominant anthropogenic greenhouse gas (GHG). The two main contributors to non-attainment of U.S. ambient air quality standards, ozone (O<sub>3</sub>) and particulate matter (PM), interact with radiation, forcing climate change. PM warms by absorbing sunlight (e.g., black carbon) or cools by scattering sunlight (e.g., sulfates) and interacts with clouds; these radiative and microphysical interactions can induce changes in precipitation and regional circulation patterns. Climate change is expected to degrade air quality in many polluted regions by changing air pollution meteorology (ventilation and dilution), precipitation and other removal processes, and by triggering some amplifying responses in atmospheric chemistry and in anthropogenic and natural sources. Together, these processes shape distributions and extreme episodes of O<sub>3</sub> and PM. Global modeling indicates that as air pollution programs reduce SO<sub>2</sub> to meet health and other air quality goals, near-term warming accelerates due to “unmasking” of warming induced by rising CO<sub>2</sub>. Air pollutant controls on CH<sub>4</sub>, a potent GHG and precursor to global O<sub>3</sub> levels, and on sources with high black carbon (BC) to organic carbon (OC) ratios could offset near-term warming induced by SO<sub>2</sub> emission reductions, while reducing global background O<sub>3</sub> and regionally high levels of PM. Lowering peak warming requires decreasing atmospheric CO<sub>2</sub>, which for some source categories would also reduce co-emitted air pollutants or their precursors. Model projections for alternative climate and air quality scenarios indicate a wide range for U.S. surface O<sub>3</sub> and fine PM, although regional projections may be confounded by interannual to decadal natural climate variability. Continued implementation of U.S. NO<sub>x</sub> emission controls guards against rising pollution levels triggered either by climate change or by global emission growth. Improved accuracy and trends in emission inventories are critical for accountability analyses of historical and projected air pollution and climate mitigation policies.Implications: <i>The expansion of U.S. air pollution policy to protect climate provides an opportunity for joint mitigation, with CH<sub>4</sub> a prime target. BC reductions in developing nations would lower the global health burden, and for BC-rich sources (e.g., diesel) may lessen warming. Controls on these emissions could offset near-term warming induced by health-motivated reductions of sulfate (cooling). Wildfires, dust, and other natural PM and O<sub>3</sub> sources may increase with climate warming, posing challenges to implementing and attaining air quality standards. Accountability analyses for recent and projected air pollution and climate control strategies should underpin estimated benefits and trade-offs of future policies.</i>
DOI: 10.6084/m9.figshare.1415963.v2
title: Air Quality and Climate Connections

description: Multiple linkages connect air quality and climate change. Many air pollutant sources also emit carbon dioxide (CO<sub>2</sub>), the dominant anthropogenic greenhouse gas (GHG). The two main contributors to non-attainment of U.S. ambient air quality standards, ozone (O<sub>3</sub>) and particulate matter (PM), interact with radiation, forcing climate change. PM warms by absorbing sunlight (e.g., black carbon) or cools by scattering sunlight (e.g., sulfates) and interacts with clouds; these radiative and microphysical interactions can induce changes in precipitation and regional circulation patterns. Climate change is expected to degrade air quality in many polluted regions by changing air pollution meteorology (ventilation and dilution), precipitation and other removal processes, and by triggering some amplifying responses in atmospheric chemistry and in anthropogenic and natural sources. Together, these processes shape distributions and extreme episodes of O<sub>3</sub> and PM. Global modeling indicates that as air pollution programs reduce SO<sub>2</sub> to meet health and other air quality goals, near-term warming accelerates due to “unmasking” of warming induced by rising CO<sub>2</sub>. Air pollutant controls on CH<sub>4</sub>, a potent GHG and precursor to global O<sub>3</sub> levels, and on sources with high black carbon (BC) to organic carbon (OC) ratios could offset near-term warming induced by SO<sub>2</sub> emission reductions, while reducing global background O<sub>3</sub> and regionally high levels of PM. Lowering peak warming requires decreasing atmospheric CO<sub>2</sub>, which for some source categories would also reduce co-emitted air pollutants or their precursors. Model projections for alternative climate and air quality scenarios indicate a wide range for U.S. surface O<sub>3</sub> and fine PM, although regional projections may be confounded by interannual to decadal natural climate variability. Continued implementation of U.S. NO<sub>x</sub> emission controls guards against rising pollution levels triggered either by climate change or by global emission growth. Improved accuracy and trends in emission inventories are critical for accountability analyses of historical and projected air pollution and climate mitigation policies.Implications: <i>The expansion of U.S. air pollution policy to protect climate provides an opportunity for joint mitigation, with CH<sub>4</sub> a prime target. BC reductions in developing nations would lower the global health burden, and for BC-rich sources (e.g., diesel) may lessen warming. Controls on these emissions could offset near-term warming induced by health-motivated reductions of sulfate (cooling). Wildfires, dust, and other natural PM and O<sub>3</sub> sources may increase with climate warming, posing challenges to implementing and attaining air quality standards. Accountability analyses for recent and projected air pollution and climate control strategies should underpin estimated benefits and trade-offs of future policies.</i>
DOI: 10.6084/m9.figshare.1415963.v1
title: Air Quality and Climate Connections

description: Multiple linkages connect air quality and climate change. Many air pollutant sources also emit carbon dioxide (CO<sub>2</sub>), the dominant anthropogenic greenhouse gas (GHG). The two main contributors to non-attainment of U.S. ambient air quality standards, ozone (O<sub>3</sub>) and particulate matter (PM), interact with radiation, forcing climate change. PM warms by absorbing sunlight (e.g., black carbon) or cools by scattering sunlight (e.g., sulfates) and interacts with clouds; these radiative and microphysical interactions can induce changes in precipitation and regional circulation patterns. Climate change is expected to degrade air quality in many polluted regions by changing air pollution meteorology (ventilation and dilution), precipitation and other removal processes, and by triggering some amplifying responses in atmospheric chemistry and in anthropogenic and natural sources. Together, these processes shape distributions and extreme episodes of O<sub>3</sub> and PM. Global modeling indicates that as air pollution programs reduce SO<sub>2</sub> to meet health and other air quality goals, near-term warming accelerates due to “unmasking” of warming induced by rising CO<sub>2</sub>. Air pollutant controls on CH<sub>4</sub>, a potent GHG and precursor to global O<sub>3</sub> levels, and on sources with high black carbon (BC) to organic carbon (OC) ratios could offset near-term warming induced by SO<sub>2</sub> emission reductions, while reducing global background O<sub>3</sub> and regionally high levels of PM. Lowering peak warming requires decreasing atmospheric CO<sub>2</sub>, which for some source categories would also reduce co-emitted air pollutants or their precursors. Model projections for alternative climate and air quality scenarios indicate a wide range for U.S. surface O<sub>3</sub> and fine PM, although regional projections may be confounded by interannual to decadal natural climate variability. Continued implementation of U.S. NO<sub>x</sub> emission controls guards against rising pollution levels triggered either by climate change or by global emission growth. Improved accuracy and trends in emission inventories are critical for accountability analyses of historical and projected air pollution and climate mitigation policies.Implications: <i>The expansion of U.S. air pollution policy to protect climate provides an opportunity for joint mitigation, with CH<sub>4</sub> a prime target. BC reductions in developing nations would lower the global health burden, and for BC-rich sources (e.g., diesel) may lessen warming. Controls on these emissions could offset near-term warming induced by health-motivated reductions of sulfate (cooling). Wildfires, dust, and other natural PM and O<sub>3</sub> sources may increase with climate warming, posing challenges to implementing and attaining air quality standards. Accountability analyses for recent and projected air pollution and climate control strategies should underpin estimated benefits and trade-offs of future policies.</i>
DOI: 10.6084/m9.figshare.1415926
title: Proteomic approaches to central nervous system disorders

description: Abstract The discovery, design and evaluation of new medicines is critically dependent on the elucidation of protein mechanisms involved in human diseases. Since the proteome of a cell or tissue is not a simple reflection of its transcriptome, direct protein-based analysis is needed. Advances in proteomic technologies are improving the analysis of membrane proteins and signaling complexes with increased speed and molecular detail. Changes in protein isoforms due to post-translational modifications, such as phosphorylation induced by cell signaling events and alternative splice forms of receptors, may be mapped to an altered protein expression pattern in clinically relevant cell populations with a causative or diagnostic disease link. A CNS proteome database derived from primary human tissues may avoid ambiguities of experimental models. It will also accelerate the development of more specific diagnostic and prognostic disease markers as well as new selective therapeutics. Proteomics is also being applied to resolve in silico gene prediction uncertainties by direct open reading frame verification. These advances hold great promise for improvements in the understanding, diagnosis and therapy of central nervous system disorders.
DOI: 10.6084/m9.figshare.1415806
title: Twitter Quiz

description: Images for twitter quiz more information here: http://proteinsandwavefunctions.blogspot.dk/2015/05/twitterquiz-educational-experiment.html
DOI: 10.6084/m9.figshare.1415805
title: Linear relationship between soil pH with atmospheric inorganic N deposition in the PRD region, China.

description: N deposition contributes to soil pH
DOI: 10.6084/m9.figshare.1415806.v1
title: Twitter Quiz

description: Images for twitter quiz more information here: http://proteinsandwavefunctions.blogspot.dk/2015/05/twitterquiz-educational-experiment.html