about-physicochemistry.html 4.24 KB
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{% extends "about.html" %}

{% block title %}inhibitors of Protein-Protein Interaction Database{% endblock %}

{% block pagetitle %}PHYSICOCHEMISTRY{% endblock%}

{% block view_content %}
<div class="row">
	<div class="card col-sm-12 col-md-4">
		<canvas id="fsp3_dist" style="width:300px; height:200px;"></canvas>
	</div>
	<div class="card col-sm-12 col-md-4">
		<canvas id="mw_dist" style="width:300px; height:200px;"></canvas>
	</div>
	<div class="card col-sm-12 col-md-4">
		<canvas id="chiral_dist" style="width:300px; height:200px;"></canvas>
	</div>
	<div class="card col-sm-12 col-md-4">
		<canvas id="arom_dist" style="width:300px; height:200px;"></canvas>
	</div>
	<div class="card col-sm-12 col-md-4">
		<canvas id="rotbonds_dist" style="width:300px; height:200px;"></canvas>
	</div>
	<div class="card col-sm-12 col-md-4">
		<canvas id="haccept_dist" style="width:300px; height:200px;"></canvas>
	</div>
	<div class="card col-sm-12 col-md-4">
		<canvas id="hdon_dist" style="width:300px; height:200px;"></canvas>
	</div>
	<div class="card col-sm-12 col-md-4">
		<canvas id="tpsa_dist" style="width:300px; height:200px;"></canvas>
	</div>
	<div class="card col-sm-12 col-md-4">
		<canvas id="alogp_dist" style="width:300px; height:200px;"></canvas>
	</div>
</div>
<script>

	var fsp3Data = {
		labels: {{ fsp3_dist.labels|safe }},
		datasets: [{
			label: 'Compounds in FSP3 range',
			backgroundColor: "rgba(70,130,180,0.6)",
			borderColor: "rgba(70,130,180,1)",
			borderWidth: 1,
			data: {{ fsp3_dist.values }}
		}]
	};

	drawBarChart('fsp3_dist',
		fsp3Data,
		'Fsp3',
		null,
        'bar');

	var mwData = {
		labels: {{ mw_dist.labels|safe }},
		datasets: [{
			label: 'Molecular Weight',
			backgroundColor: "rgba(70,130,180,0.6)",
			borderColor: "rgba(70,130,180,1)",
			borderWidth: 1,
			data: {{ mw_dist.values }}
		}]
	};

	drawBarChart('mw_dist',
		mwData,
		'Molecular Weight',
		null,
        'bar');

	var chiralData = {
		labels: {{ chiral_dist.labels|safe }},
		datasets: [{
			label: 'Number of chiral centers',
			backgroundColor: "rgba(70,130,180,0.6)",
			borderColor: "rgba(70,130,180,1)",
			borderWidth: 1,
			data: {{ chiral_dist.values }}
		}]
	};

	drawBarChart('chiral_dist',
		chiralData,
		'Number of chiral centers',
		null,
        'bar');

	var aromData = {
		labels: {{ arom_dist.labels|safe }},
		datasets: [{
			label: 'Number of aromatic rings',
			backgroundColor: "rgba(70,130,180,0.6)",
			borderColor: "rgba(70,130,180,1)",
			borderWidth: 1,
			data: {{ arom_dist.values }}
		}]
	};

	drawBarChart('arom_dist',
		aromData,
		'Number of aromatic rings',
		null,
        'bar');

	var rotbondsData = {
		labels: {{ rotbonds_dist.labels|safe }},
		datasets: [{
			label: 'Number of rotatable bonds',
			backgroundColor: "rgba(70,130,180,0.6)",
			borderColor: "rgba(70,130,180,1)",
			borderWidth: 1,
			data: {{ rotbonds_dist.values }}
		}]
	};

	drawBarChart('rotbonds_dist',
		rotbondsData,
		'Number of rotatable bonds',
		null,
        'bar');

	var hacceptData = {
		labels: {{ haccept_dist.labels|safe }},
		datasets: [{
			label: 'Number of H acceptors',
			backgroundColor: "rgba(70,130,180,0.6)",
			borderColor: "rgba(70,130,180,1)",
			borderWidth: 1,
			data: {{ haccept_dist.values }}
		}]
	};

	drawBarChart('haccept_dist',
		hacceptData,
		'Number of H acceptors',
		null,
        'bar');

	var hdonData = {
		labels: {{ hdon_dist.labels|safe }},
		datasets: [{
			label: 'Number of H donors',
			backgroundColor: "rgba(70,130,180,0.6)",
			borderColor: "rgba(70,130,180,1)",
			borderWidth: 1,
			data: {{ hdon_dist.values }}
		}]
	};

	drawBarChart('hdon_dist',
		hdonData,
		'Number of H donors',
		null,
        'bar');

	var tpsaData = {
		labels: {{ tpsa_dist.labels|safe }},
		datasets: [{
			label: 'TPSA',
			backgroundColor: "rgba(70,130,180,0.6)",
			borderColor: "rgba(70,130,180,1)",
			borderWidth: 1,
			data: {{ tpsa_dist.values }}
		}]
	};

	drawBarChart('tpsa_dist',
		tpsaData,
		'TPSA',
		null,
        'bar');

	var alogpData = {
		labels: {{ alogp_dist.labels|safe }},
		datasets: [{
			label: 'ALogP',
			backgroundColor: "rgba(70,130,180,0.6)",
			borderColor: "rgba(70,130,180,1)",
			borderWidth: 1,
			data: {{ alogp_dist.values }}
		}]
	};

	drawBarChart('alogp_dist',
		alogpData,
		'ALogP',
		null,
        'bar');

</script>
{% endblock %}