diff --git a/Output/data.json b/Output/data.json
deleted file mode 100644
index 419abd725906522c368cda587f205889df6a9830..0000000000000000000000000000000000000000
--- a/Output/data.json
+++ /dev/null
@@ -1,23 +0,0 @@
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- {"name":"StudieB","author":"MenschB","year":"JahrB","doi":"doiB","group":"cited"},
- {"name":"StudieC","author":"MenschC","year":"JahrC","doi":"doiC","group":"input"},
- {"name":"StudieD","author":"MenschD","year":"JahrD","doi":"doiD","group":"cited"},
- {"name":"StudieE","author":"MenschE","year":"JahrE","doi":"doiE","group":"cited"},
- {"name":"StudieF","author":"MenschF","year":"JahrF","doi":"doiF","group":"cited"},
- {"name":"StudieG","author":"MenschG","year":"JahrG","doi":"doiG","group":"citing"},
- {"name":"StudieH","author":"MenschH","year":"JahrH","doi":"doiH","group":"cited"},
- {"name":"StudieI","author":"MenschI","year":"JahrI","doi":"doiI","group":"citing"}],
-"links":[{"source":"doiA","target":"doiB"},
- {"source":"doiA","target":"doiC"},
- {"source":"doiC","target":"doiE"},
- {"source":"doiD","target":"doiB"},
- {"source":"doiC","target":"doiB"},
- {"source":"doiA","target":"doiH"},
- {"source":"doiA","target":"doiI"},
- {"source":"doiI","target":"doiC"},
- {"source":"doiH","target":"doiC"},
- {"source":"doiG","target":"doiA"},
- {"source":"doiH","target":"doiI"},
- {"source":"doiE","target":"doiF"}
-
- ]}
diff --git a/Output/index.html b/Output/index.html
index 2947b158785d6a87bf0edf208d6afdd39c84886e..9825ce80c2fedf3fc1af0d6ed6d56744c1b7ffc7 100644
--- a/Output/index.html
+++ b/Output/index.html
@@ -22,7 +22,22 @@
top: 500px;
right: 550px;
} */
+ div {
+ width:270px;
+ min-height:200px;
+ max-height:370px;
+ padding: 10px;
+ border: 1px solid #999;
+ position: absolute;
+ top: 0;
+ right: 0;
+ display: inline-block;
+ overflow-y: scroll;
+ margin: 0;
+ }
+
</style>
+ <!--width: 270px;-->
<link rel="shortcut icon" href="#">
</head>
<body>
@@ -38,6 +53,8 @@
<button onclick="resetZoom()">Reset zoom</button>
<button onclick="center()">Center</button>
+
+
<script type="text/javascript">
// var colors = d3.scaleOrdinal(d3.schemeCategory10);
@@ -112,8 +129,8 @@
.attr("class", "everything")
//.call(zoom);
-
- d3.json("data.json", function (error, graph) {
+ //d3.json("data.json", function (error, graph) {
+ d3.json("json_text.json", function (error, graph) {
if (error) throw error;
update(graph.links, graph.nodes);
})
@@ -149,13 +166,6 @@
var h = svg.append('g').attr("transform" ,"scale(0)");
- rect = h.append('rect')
- .attr('width', 300)
- .attr('height', 90)
- .attr('x', width-310)
- .attr('y', 10)
- .style('fill', 'none')
- .attr('stroke', 'none')
h.transition().duration(500).attr("transform" ,"scale(1)");
var toRemove;
@@ -185,14 +195,14 @@
})
-
- node.append("title")
+ //hovertext
+ /* node.append("title")
.text(function (d) {return "Title: "+d.name+"\nAuthor: "+d.author+"\nYear: "+d.year+"\ndoi: "+d.doi;});
-
+*/
node.append("text")
.attr("class", "text") //über selectAll(".text") können objs mit der klasse ausgewählt werden
.style("font-size", "15px")
- .text(function (d) {return d.author;})
+ .text(function (d) {return author(d.author);})
.style('pointer-events', 'auto')
@@ -213,7 +223,6 @@
d3.selectAll(".link").attr('marker-end', function(o) {
return isLinkForNode(d, o) ? 'url(#arrowhead2)' : 'url(#arrowhead)';})
-
textfunc(d,h);
});
@@ -228,40 +237,31 @@
function isLinkForNode(node, link){
return link.source.index == node.index || link.target.index == node.index;
}
- function colorlink(o,f){
- document.getElementById("id").innerHTML = o.target
- o.source === f || o.target === f ? o.style("stroke","black") : o.style("stroke","#000000");
+ function author(author){
+ if (/,/.test(author)==false){
+ var hmm=/^.*\s+([\w\-]+)[\.\s]*$/.exec(author)
+ }
+ else{
+ var hmm=/^[\s\w\.\-]*\s([\w\-]+)[\.\s]*,.*$/.exec(author)
+ }
+ return hmm[1]
+
}
function textfunc(d,h){
d3.selectAll("foreignObject").remove()
-
- rect.attr('stroke', 'black')
h.append('foreignObject')
.attr('x', width-300)
.attr('y', 15)
.attr('width', 300)
- .attr('height', 100)
- .text("Title: "+d.name)
- h.append('foreignObject')
- .attr('x', width-300)
- .attr('y', 35)
- .attr('width', 300)
- .attr('height', 100)
- .text("Author: "+d.author)
- h.append('foreignObject')
- .attr('x', width-300)
- .attr('y', 55)
- .attr('width', 300)
- .attr('height', 100)
- .text("Year: "+d.year)
- h.append('foreignObject')
- .attr('x', width-300)
- .attr('y', 75)
- .attr('width', 300)
- .attr('height', 100)
- .text("doi: "+d.doi)
+ .attr('height', 400)
+ .style("font-size", "15px")
+ .html(function(h) {
+ return '<div style="border:1px solid">' + "Title:" + '</br>' + d.name +
+ '</br>' +'</br>'+"Author:"+ '</br>' +d.author+'</br>'+'</br>'+"Year:"+'</br>'+d.year+'</br>'+'</br>'
+ +"doi:"+'</br>'+d.doi+'</div>'
+ })
}
diff --git a/Output/json_text.json b/Output/json_text.json
new file mode 100644
index 0000000000000000000000000000000000000000..384622906df53ae34b15a3be4fcf4aaa96d6dae3
--- /dev/null
+++ b/Output/json_text.json
@@ -0,0 +1,123 @@
+{
+ "nodes": [
+ {
+ "name": "Comparing Molecular Patterns Using the Example of SMARTS: Applications and Filter Collection Analysis",
+ "author":"Emanuel S. R. Ehmki,Robert Schmidt, Farina Ohm, Matthias Rarey",
+ "year":"1997",
+ "doi": "https://doi.org/10.1021/acs.jcim.9b00249",
+ "group": "input"
+ },
+ {
+ "name": "Combining Machine Learning and Computational Chemistry for Predictive Insights Into Chemical Systems ",
+ "author": "John A. Keith, Valentin Vassilev-Galindo, Bingqing Cheng, Stefan Chmiela, Michael Gastegger, Klaus-Robert M\u00fcller, Alexandre Tkatchenko. ",
+ "year":"1937",
+ "doi": "https://doi.org/10.1021/acs.chemrev.1c00107",
+ "group": "citing"
+ },
+ {
+ "name": "Disconnected Maximum Common Substructures under Constraints ",
+ "author": "Robert Schmidt, Florian Krull, Anna Lina Heinzke, Matthias Rarey. ",
+ "year":"1991",
+ "doi": "https://doi.org/10.1021/acs.jcim.0c00741",
+ "group": "citing"
+ },
+ {
+ "name": "Evolution of Novartis\u2019 Small Molecule Screening Deck Design ",
+ "author": "Ansgar Schuffenhauer, Nadine Schneider, Samuel Hintermann, Douglas Auld, Jutta Blank, Simona Cotesta, Caroline Engeloch, Nikolas Fechner, Christoph Gaul, Jerome Giovannoni, Johanna Jansen, John Joslin, Philipp Krastel, Eugen Lounkine, John Manchester, Lauren G. Monovich, Anna Paola Pelliccioli, Manuel Schwarze, Michael D. Shultz, Nikolaus Stiefl, Daniel K. Baeschlin. ",
+ "year":"2001",
+ "doi": "https://doi.org/10.1021/acs.jmedchem.0c01332",
+ "group": "input"
+ },
+ {
+ "name": "Comparing Molecular Patterns Using the Example of SMARTS: Theory and Algorithms ",
+ "author": "Robert Schmidt, Emanuel S. R. Ehmki, Farina Ohm, Hans-Christian Ehrlich, Andriy Mashychev, Matthias Rarey. ",
+ "year":"2021",
+ "doi": "https://doi.org/10.1021/acs.jcim.9b00250",
+ "group": "cited"
+ },
+ {
+ "name": "Machine learning accelerates quantum mechanics predictions of molecular crystals ",
+ "author": "Yanqiang Han, Imran Ali, Zhilong Wang, Junfei Cai, Sicheng Wu, Jiequn Tang, Lin Zhang, Jiahao Ren, Rui Xiao, Qianqian Lu, Lei Hang, Hongyuan Luo, Jinjin Li. ",
+ "year":"2011",
+ "doi": "https://doi.org/10.1016/j.physrep.2021.08.002",
+ "group": "cited"
+ },
+ {
+ "name": "The Growing Importance of Chirality in 3D Chemical Space Exploration and Modern Drug Discovery Approaches for Hit-ID ",
+ "author": "Ilaria Proietti Silvestri, Paul J. J. Colbon. ",
+ "year":"2001",
+ "doi": "https://doi.org/10.1021/acsmedchemlett.1c00251",
+ "group": "cited"
+ },
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+ "year":"2003",
+ "doi": "https://doi.org/10.1021/acs.jmedchem.1c00416",
+ "group": "cited"
+ },
+ {
+ "name": "BonMOLi\u00e8re: Small-Sized Libraries of Readily Purchasable Compounds, Optimized to Produce Genuine Hits in Biological Screens across the Protein Space ",
+ "author": "Neann Mathai, Conrad Stork, Johannes Kirchmair. ",
+ "year":"2003",
+ "doi": "https://doi.org/10.3390/ijms22157773",
+ "group": "cited"
+ },
+ {
+ "name": "Accelerating high-throughput virtual screening through molecular pool-based active learning ",
+ "author": "David E. Graff, Eugene I. Shakhnovich, Connor W. Coley. ",
+ "year":"2013",
+ "doi": "https://doi.org/10.1039/D0SC06805E",
+ "group": "cited"
+ },
+ {
+ "name": "Compound Screening ",
+ "author": "Shin Numao.",
+ "year":"2009",
+ "doi": "https://doi.org/10.1016/B978-0-12-820472-6.00078-5",
+ "group": "citing"
+ }
+ ],
+ "links": [
+ {
+ "source": "https://doi.org/10.1021/acs.jcim.9b00249",
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+ {
+ "source": "https://doi.org/10.1021/acs.jcim.9b00249",
+ "target": "https://doi.org/10.1021/acs.jcim.9b00250"
+ },
+ {
+ "source": "https://doi.org/10.1021/acs.jcim.9b00249",
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diff --git a/json_text.json b/json_text.json
new file mode 100644
index 0000000000000000000000000000000000000000..42f0e4b9590789438bb22176cd2728928f4da525
--- /dev/null
+++ b/json_text.json
@@ -0,0 +1,123 @@
+{
+ "nodes": [
+ {
+ "name": "Comparing Molecular Patterns Using the Example of SMARTS: Applications and Filter Collection Analysis",
+ "author":"Emanuel S. R. Ehmki,Robert Schmidt, Farina Ohm, Matthias Rarey",
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+ "doi": "https://doi.org/10.1021/acs.jcim.9b00249",
+ "group": "input"
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+ {
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+ "author": "John A. Keith, Valentin Vassilev-Galindo, Bingqing Cheng, Stefan Chmiela, Michael Gastegger, Klaus-Robert M\u00fcller, Alexandre Tkatchenko. ",
+ "year":"1937",
+ "doi": "https://doi.org/10.1021/acs.chemrev.1c00107",
+ "group": "citing"
+ },
+ {
+ "name": "Disconnected Maximum Common Substructures under Constraints ",
+ "author": "Robert Schmidt, Florian Krull, Anna Lina Heinzke, Matthias Rarey. ",
+ "year":"1991",
+ "doi": "https://doi.org/10.1021/acs.jcim.0c00741",
+ "group": "citing"
+ },
+ {
+ "name": "Evolution of Novartis\u2019 Small Molecule Screening Deck Design ",
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+ "author": "Robert Schmidt, Emanuel S. R. Ehmki, Farina Ohm, Hans-Christian Ehrlich, Andriy Mashychev, Matthias Rarey. ",
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+ "doi": "https://doi.org/10.1016/j.physrep.2021.08.002",
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+ "group": "citing"
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+ "source": "https://doi.org/10.1021/acs.jcim.9b00249",
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