compound_list.html 29.5 KB
Newer Older
Hervé  MENAGER's avatar
Hervé MENAGER committed
1
{% extends "base.html" %}
2
{% load customtags %}
Hervé  MENAGER's avatar
Hervé MENAGER committed
3
    
4
{% block title %}Compounds list{% endblock %}
Hervé  MENAGER's avatar
Hervé MENAGER committed
5

6
{% block extra_js %}
7
{{block.super}}
Hervé  MENAGER's avatar
Hervé MENAGER committed
8
9
10
11
{% if marvinjs_apikey != None %}
<script src="https://marvinjs.chemicalize.com/v1/{{ marvinjs_apikey }}/client-settings.js"></script>
<script src="https://marvinjs.chemicalize.com/v1/client.js"></script>
{% endif %}
12
13
<script src="/static/js/ippidb-compoundws.js"></script>
<script src="/static/js/ippidb-marvinjsmodal.js"></script>
14
<script src="/static/js/compound_list.js"></script>
15
16
17
<script>
    function openNav() {
    console.log('test');
18
    document.getElementById("mySidenav").style.width = "300px";
19
20
21
22
23
24
25
    document.getElementById("main").style.marginLeft = "0px";
  }
  function closeNav() {
    document.getElementById("mySidenav").style.width = "0";
    document.getElementById("main").style.marginLeft= "0";
  }  
</script>
26
27
{% endblock %}

Hervé  MENAGER's avatar
Hervé MENAGER committed
28
{% block content %}
29
<div class="inner-wrap">
Rachel TORCHET's avatar
Rachel TORCHET committed
30
31
    <nav class="breadcrumb breadNav" role="navigation">
        <div class="breadNav-label">You are here</div>
32
        <div aria-labelledby="breadcrumb-label">
33
            {% block breadcrumb %} {{block.super}}<a href="/compounds/" class="breadNav-link">Query compounds</a>{% endblock %} 
34
35
36
        </div>
    </nav>
</div>
Hervé  MENAGER's avatar
Hervé MENAGER committed
37

38
<div class="inner-wrap container-fluid ">
Hervé  MENAGER's avatar
Hervé MENAGER committed
39
<div class="row flex-xl-nowrap">
40

41
<main class="col-12" role="main">
42
    <h1 class="page-title">Query compounds</h1>
43
    <form class="container-fluid">
44
        <div class="m-2">
45
        </div>
46
        <div id="mySidenav" class="sidenav">
47
                <a href="javascript:void(0)" class="close_btn" onclick="closeNav()">&times; Close</a>
48
49
50
               <h1 class="side_menu_title">
                                Search
                            </h1>
51
52
53
                            <div class="filter_item" style="display: inline-flex; width:100%;">                              
                                    <input style="width: 100%;" id="q" value="{{ q | default_if_none:"" }}" class="form-control col-9" type="search" placeholder="Search" onchange="modifyUrl('q',$('#q').val());">
                                </div>  
54
55
56
57
                            <hr>
                    <h1 class="side_menu_title">
                        Compound
                    </h1>
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
                    <div class="dropdown btn-group">
                            <div class="filters_subtitles" id="pcpropMenuButton" data-toggle="dropdown" aria-haspopup="true" aria-expanded="false">
                                    Physico-Chemical Properties <i class="fas fa-caret-right"></i>
                            </div>
                            <div class="dropdown-menu" aria-labelledby="pcpropMenuButton">
                                {% include "modal_open_button.html" with label="H donors" param_name="nb_donor_h" %}
                                {% include "modal_open_button.html" with label="H acceptors" param_name="nb_acceptor_h" %}
                                {% include "modal_open_button.html" with label="TPSA" param_name="tpsa" %}
                                {% include "modal_open_button.html" with label="Nb rotatable bonds" param_name="nb_rotatable_bonds" %}
                                {% include "modal_open_button.html" with label="Molecular weight" param_name="molecular_weight" %}        
                                {% include "modal_open_button.html" with label="AlogP" param_name="a_log_p" %}
                                {% include "modal_open_button.html" with label="Nb aromatic SSSR" param_name="nb_aromatic_sssr" %}
                                {% include "modal_open_button.html" with label="Nb chiral centers" param_name="nb_chiral_centers" %}
                                {% include "modal_open_button.html" with label="Fsp3" param_name="fsp3" %}
                            </div>
                    </div>
                    <div class="filters_subtitles" data-toggle="modal" data-target="#modal-marvin" onclick="return false;">
                            Chemical similarity
                    </div>
                    <div class="dropdown btn-group">
                            <div class="filters_subtitles" id="crMenuButton" data-toggle="dropdown" aria-haspopup="true" aria-expanded="false">
                                Chemistry Rules <i class="fas fa-caret-right"></i>
                            </div>
                            <div class="dropdown-menu" aria-labelledby="crMenuButton">
                                {% include "dropdown_checkbox.html" with label="Lipinsky rule of 5" param_name="lipinsky" value=lipinsky %}
                                {% include "dropdown_checkbox.html" with label="Veber" param_name="veber" value=veber %}
                                {% include "dropdown_checkbox.html" with label="Pfizer 3/75" param_name="pfizer" value=pfizer %}
                            </div>
                    </div>
                    <div class="dropdown btn-group">
                            <div class="filters_subtitles" id="aeMenuButton" data-toggle="dropdown" aria-haspopup="true" aria-expanded="false">
                                Activity and Efficiencies <i class="fas fa-caret-right"></i>
                            </div>
                            <div class="dropdown-menu" aria-labelledby="aeMenuButton">
                                {% include "modal_open_button.html" with label="Best Activity" param_name="best_activity" %}
                                {% include "modal_open_button.html" with label="LE" param_name="le" %}
                                {% include "modal_open_button.html" with label="LLE" param_name="lle" %}
                            </div>
                    </div>
                    <div class="dropdown btn-group">
                        <div class="filters_subtitles" id="mmoaMenuButton" data-toggle="dropdown" aria-haspopup="true" aria-expanded="false">
                                    Molecular Mechanism of Action <i class="fas fa-caret-right"></i>
                        </div>
                        <div class="dropdown-menu" aria-labelledby="mmoaMenuButton">
                                    {% include "dropdown_checkbox.html" with label="PDB ligand available" param_name="pdb_ligand_av" value=pdb_ligand_av %}
                                    <div class="dropdown-divider"></div>
                                    {% include "dropdown_checkbox.html" with label="Inhibition role" param_name="inhibition_role" value=inhibition_role %}
                                    {% include "dropdown_checkbox.html" with label="Stabilisation role" param_name="stabilisation_role" value=stabilisation_role %}
                                </div>
                    </div>  
                    <div class="dropdown btn-group">
                            <div class="filters_subtitles" id="elMenuButton" data-toggle="dropdown" aria-haspopup="true" aria-expanded="false">
                                External Links <i class="fas fa-caret-right"></i>
                            </div>
                            <div class="dropdown-menu" aria-labelledby="elMenuButton">
                                <label class="dropdown-item" onclick="toggleCheckBox('pubchem_id')">
                                    <input type="checkbox" id="pubchem_id" {% if pubchem_id %}checked{% endif %}/> in PubChem
                                </label>
                                <label class="dropdown-item" onclick="toggleCheckBox('chembl_id')">
                                    <input type="checkbox" id="chembl_id"  {% if chembl_id %}checked{% endif %}/> in ChEMBL
                                </label>
                                <label class="dropdown-item" onclick="toggleCheckBox('chemspider_id')">
                                    <input type="checkbox" id="chemspider_id" {% if chemspider_id %}checked{% endif %}/> in ChemSpider
                                </label>                                            
                            </div>
                        </div>  
124
125
126
127
                    <hr>
                    <h1 class="side_menu_title">
                            Target
                        </h1>
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
                        <div class="dropdown btn-group" >
                                <div class="filters_subtitles" id="ptfMenuButton" data-toggle="dropdown" aria-haspopup="true" aria-expanded="false">
                                    PPI target filters <i class="fas fa-caret-right"></i>
                                </div>
                                <div class="dropdown-menu" aria-labelledby="ptfMenuButton">
                                    {% include "modal_open_button.html" with label="PFAM" param_name="domain" %}
                                    {% include "modal_open_button.html" with label="Bound complex" param_name="boundcomplex" %}
                                    {% include "modal_open_button.html" with label="Partner complex" param_name="partnercomplex" %}
                                    {% include "modal_open_button.html" with label="PPI Family" param_name="family" %}
                                    {% include "modal_open_button.html" with label="Organism" param_name="taxonomy" %}
                                    {% include "modal_open_button.html" with label="Disease" param_name="disease" %}
                                    {% include "modal_open_button.html" with label="Molecular function" param_name="molecular_function" %}
                                    {% include "modal_open_button.html" with label="PPI" param_name="ppi" %}
                                </div>
                            </div>   
143
144
145
146
                        <hr>
                        <h1 class="side_menu_title">
                                Test
                            </h1>
147
148
149
150
151
152
153
154
155
156
157
158
159
160
161
162
163
164
165
166
167
168
169
170
171
172
173
174
175
176
177
178
179
                            <div class="dropdown btn-group">
                                    <div class="filters_subtitles" id="aaMenuButton" data-toggle="dropdown" aria-haspopup="true" aria-expanded="false">
                                        Affinity assays <i class="fas fa-caret-right"></i>
                                    </div>
                                    <div class="dropdown-menu" aria-labelledby="aaMenuButton">                                
                                        {% include "modal_open_button.html" with label="Biochemical tests" param_name="biochtest" %}
                                        {% include "modal_open_button.html" with label="Cellular tests" param_name="celltest" %}
                                        <div class="dropdown-divider"></div>
                                        <label class="dropdown-item" onclick="toggleCheckBox('celltest_av')">
                                            <input type="checkbox" id="celltest_av" {% if celltest_av %}checked{% endif %}/> Cellular tests performed
                                        </label>
                                        <label class="dropdown-item" onclick="toggleCheckBox('inhitest_av')">
                                            <input type="checkbox" id="inhitest_av" {% if inhitest_av %}checked{% endif %}/> Inhibition tests performed
                                        </label>
                                        <label class="dropdown-item" onclick="toggleCheckBox('stabtest_av')">
                                            <input type="checkbox" id="stabtest_av" {% if stabtest_av %}checked{% endif %}/> Stabilisation tests performed
                                        </label>
                                        <label class="dropdown-item" onclick="toggleCheckBox('bindtest_av')">
                                            <input type="checkbox" id="bindtest_av" {% if bindtest_av %}checked{% endif %}/> Binding tests performed
                                        </label>
                                        <label class="dropdown-item" onclick="toggleCheckBox('pktest_av')">
                                            <input type="checkbox" id="pktest_av" {% if pktest_av %}checked{% endif %}/> Pharmacokinetic tests performed
                                        </label>
                                        <label class="dropdown-item" onclick="toggleCheckBox('cytoxtest_av')">
                                            <input type="checkbox" id="cytoxtest_av" {% if cytoxtest_av %}checked{% endif %}/> Cytotoxicity tests performed
                                        </label>
                                        <label class="dropdown-item" onclick="toggleCheckBox('insilico_av')">
                                            <input type="checkbox" id="insilico_av" {% if insilico_av %}checked{% endif %}/> In silico studies performed
                                        </label>
                                        <div class="dropdown-divider"></div>
                                        {% include "modal_open_button.html" with label="Publications" param_name="pubs" %}
                                    </div>
                                </div>   
180
181
                </div>
        </div>
182
183
184
185

        <span class="open_filters_btn">
            <span onclick="openNav()" ><a><i class="fas fa-filter"></i> Open filters</a></span>
        </span>
186
        <span class="open_filters_btn dropdown">
187
            <a class="btn btn-sm btn-secondary" href="?{% url_replace request 'format' 'csv'  %}" target="_blank" role="button" id="downloadCsvLink">
188
189
190
                <i class="fas fa-file-csv" title="Download query as CSV"></i>
            </a>
        </span>
191
192
193
194
195
        <span class="open_filters_btn dropdown">
            <a class="btn btn-sm btn-secondary dropdown-toggle" href="#" role="button" id="dropdownMenuLink" data-toggle="dropdown" aria-haspopup="true" aria-expanded="false">
                Page size
            </a>
            <div class="dropdown-menu" aria-labelledby="dropdownMenuLink">
196
197
198
                <a class="dropdown-item" href="?{% url_replace request 'page_size' '20'  %}" >20</a>
                <a class="dropdown-item" href="?{% url_replace request 'page_size' '50'  %}" >50</a>
                <a class="dropdown-item" href="?{% url_replace request 'page_size' '100'  %}" >100</a>
199
200
201
            </div>
        </span>

202
        <div class="m-2 d-flex justify-content-between">
203
            <span style="font-family:BrandonGrotesqueBlk; text-transform: uppercase; font-size: 30px;">{{ paginator.count }} compounds found</span>
204
            
205
            
206
207
208
            <div class="m-1 ml-auto">
            </div>
            <div class="btn-group btn-group-sm ml-1">
209
210
                <button class="btn btn-secondary dropdown-toggle compounds_sort_btn" type="button" id="sortMenuButton" data-toggle="dropdown" aria-haspopup="true" aria-expanded="false">
                   <span> Sort by </span>
211
212
213
214
215
216
                </button>
                <div class="dropdown-menu" aria-labelledby="sortMenuButto">
                    {% for sort_by_value, sort_by_entry in sort_by_options.items %}
                            <a class="dropdown-item {% if sort_by_value == sort_by %}active{% endif %}" href="#" onclick="modifyUrl('sort_by','{{ sort_by_value }}')">{{ sort_by_entry.name }} ({{ sort_by_entry.order }})</a>
                    {% endfor %}
                </div>
217
            </div>
218
219
            <span class="compounds_display_btn ml-1 pb-0">
                <a class="btn btn-default btn-outline-primary compounds_display_btn {% if display == 'v' %}active{% endif %}" href="#" {% if display != 'v' %}onclick="modifyUrl('display', 'v')"{% endif %}>
220
221
                    <i class="fa fa-th" title="Thumbnails"></i>
                </a>
222
                <a class="btn btn-default btn-outline-primary compounds_display_btn {% if display == 'l' %}active{% endif %}" href="#" {% if display != 'l' %}onclick="modifyUrl('display', 'l')"{% endif %}>
223
224
                    <i class="fa fa-bars" title="List"></i>
                </a>
225
                <a class="btn btn-default btn-outline-primary compounds_display_btn {% if display == 't' %}active{% endif %}" href="#" {% if display != 't' %}onclick="modifyUrl('display', 't')"{% endif %}>
226
227
228
                    <i class="fa fa-table" title="Table"></i>
                </a>
            </span>
229
            
230
        </div>
231
232
233
234
235
236
237
238
239
240
241
242
243
244
245
246
247
248
249
250
251
252
253
254
255
256
257
258
259
260
261
262
263
264
265
266
267
268
269
270
271
272
273
274
275
276
277
278
279
280
281
282
283
284
285
286
        <div class="m-2 d-flex justify-content-between">
                {% if filter_on %}
                <span>
                    filters used:&nbsp;
                        {% include "text_filter_badge.html" with param_name="q" param_value=q %}
    
                        {% include "slider_badge.html" with param_name="nb_donor_h" param_value=nb_donor_h param_value_min=nb_donor_h_value_min param_value_max=nb_donor_h_value_max param_label="H donors" %}
                        {% include "slider_badge.html" with param_name="nb_acceptor_h" param_value=nb_acceptor_h param_value_min=nb_acceptor_h_value_min param_value_max=nb_acceptor_h_value_max param_label="H acceptors" %}
                        {% include "slider_badge.html" with param_name="tpsa" param_value=tpsa param_value_min=tpsa_value_min param_value_max=tpsa_value_max param_label="TPSA" %}
                        {% include "slider_badge.html" with param_name="nb_rotatable_bonds" param_value=nb_rotatable_bonds param_value_min=nb_rotatable_bonds_min param_value_max=nb_rotatable_bonds_max param_label="Rot. bonds" %}
                        {% include "slider_badge.html" with param_name="molecular_weight" param_value=molecular_weight param_value_min=molecular_weight_value_min param_value_max=molecular_weight_value_max param_label="MW cutoff" %}
                        {% include "slider_badge.html" with param_name="a_log_p" param_value=a_log_p param_value_min=a_log_p_value_min param_value_max=a_log_p_value_max param_label="AlogP cutoff" %}
                        {% include "slider_badge.html" with param_name="nb_aromatic_sssr" param_value=nb_aromatic_sssr param_value_min=nb_aromatic_sssr_value_min param_value_max=nb_aromatic_sssr_value_max param_label="Nb aromatic SSSR" %}
                        {% include "slider_badge.html" with param_name="nb_chiral_centers" param_value=nb_chiral_centers param_value_min=nb_chiral_centers_value_min param_value_max=nb_chiral_centers_value_max param_label="Nb chiral centers" %}
                        {% include "slider_badge.html" with param_name="fsp3" param_value=fsp3 param_value_min=fsp3_value_min param_value_max=fsp3_value_max param_label="Fsp3" %}
    
                        {% include "boolean_badge.html" with param_name="lipinsky" param_value=lipinsky label="Lipinsky rule of 5"%}
                        {% include "boolean_badge.html" with param_name="veber" param_value=veber label="Veber"%}
                        {% include "boolean_badge.html" with param_name="pfizer" param_value=pfizer label="Pfizer 3/75"%}
    
                        {% include "slider_badge.html" with param_name="best_activity" param_value=best_activity param_value_min=best_activity_value_min param_value_max=best_activity_value_max param_label="Best Act." %}
                        {% include "slider_badge.html" with param_name="le" param_value=le param_value_min=le_value_min param_value_max=le_value_max param_label="LE" %}
                        {% include "slider_badge.html" with param_name="lle" param_value=lle param_value_min=lle_value_min param_value_max=lle_value_max param_label="LLE" %}
    
                        {% include "boolean_badge.html" with param_name="pdb_ligand_av" param_value=pdb_ligand_av label="PDB ligand available"%}
                        {% include "boolean_badge.html" with param_name="inhibition_role" param_value=inhibition_role label="Inhibition role"%}
                        {% include "boolean_badge.html" with param_name="stabilisation_role" param_value=stabilisation_role label="Stabilisation role"%}
    
                        {% include "boolean_badge.html" with param_name="pubchem_id" param_value=pubchem_id label="PubChem ID"%}
                        {% include "boolean_badge.html" with param_name="chembl_id" param_value=chembl_id label="ChEMBL ID"%}
                        {% include "boolean_badge.html" with param_name="chemspider_id" param_value=chemspider_id label="ChemSpider ID"%}
    
                        {% include "selected_badge.html" with param_name="domain" values=selected_domain %}
                        {% include "selected_badge.html" with param_name="boundcomplex" values=selected_boundcomplex %}
                        {% include "selected_badge.html" with param_name="partnercomplex" values=selected_partnercomplex %}
                        {% include "selected_badge.html" with param_name="family" values=selected_family %}
                        {% include "selected_badge.html" with param_name="taxonomy" values=selected_taxonomy %}
                        {% include "selected_badge.html" with param_name="disease" values=selected_disease %}
                        {% include "selected_badge.html" with param_name="molecular_function" values=selected_molecular_function %}
                        {% include "selected_badge.html" with param_name="ppi" values=selected_ppi %}
                        {% include "similarity_badge.html" with param_name="similar_to" param_value=similar_to_query param_label="Similar to " %}
    
                        {% include "selected_badge.html" with param_name="biochtest" values=selected_biochtest %}
                        {% include "selected_badge.html" with param_name="celltest" values=selected_celltest %}
                        {% include "boolean_badge.html" with param_name="celltest_av" param_value=celltest_av label="Cellular tests performed"%}
                        {% include "boolean_badge.html" with param_name="inhitest_av" param_value=inhitest_av label="Inhibition tests performed"%}
                        {% include "boolean_badge.html" with param_name="stabtest_av" param_value=stabtest_av label="Stabilisation tests performed"%}
                        {% include "boolean_badge.html" with param_name="bindtest_av" param_value=bindtest_av label="Binding tests performed"%}
                        {% include "boolean_badge.html" with param_name="pktest_av" param_value=pktest_av label="Pharmacokinetic tests performed"%}
                        {% include "boolean_badge.html" with param_name="cytoxtest_av" param_value=cytoxtest_av label="Cytotoxicity tests performed"%}
                        {% include "boolean_badge.html" with param_name="insilico_av" param_value=insilico_av label="In silico studies performed"%}
    
                        {% include "slider_badge.html" with param_name="pubs" param_value=pubs param_value_min=pubs_value_min param_value_max=pubs_value_max param_label="Publications" %}
                </span>
                {% endif %}
        </div>
287
        
288
    </form>
289
{% if page_obj %}
290
    <div class="container-fluid">
291
    {% if display == 'v' %}
292
        <div class="d-flex flex-wrap m-2 justify-content-between compounds_page_list">
293
        {% for compound in page_obj %}
294
295
            {% include "compound_v_item.html" with compound=compound %}
        {% endfor %}
296
        </div>
297
    {% elif display == 'l'%}
298
        {% for compound in page_obj %}
299
            {% include "compound_l_item.html" with compound=compound %}
300
301
        {% endfor %}
    {% else %}
302
        {% include "compound_t_list.html" with compounds=page_obj %}
303
    {% endif %}
304
    </div>
Hervé  MENAGER's avatar
Hervé MENAGER committed
305
{% else %}
306
    <p>Nothing found there!</p>
Hervé  MENAGER's avatar
Hervé MENAGER committed
307
308
309
310
311
{% endif %}					
                    </main>
</div>
</div>

312
  {% include "compound_list_pagination.html" %}
313

314
315
316
  {% include "multiselection_modal.html" with label="PPI Family" selected_list=selected_family unselected_list=family param_name="family" all_param_name="family_all" all_param_value=family_all %}
  {% include "multiselection_modal.html" with label="PPI" selected_list=selected_ppi unselected_list=ppi param_name="ppi" all_param_name="ppi_all" all_param_value=ppi_all %}
  {% include "multiselection_modal.html" with label="Disease" selected_list=selected_disease unselected_list=disease param_name="disease" all_param_name="disease_all" all_param_value=disease_all %}
317
  {% include "multiselection_modal.html" with label="Molecular function" selected_list=selected_molecular_function unselected_list=molecular_function param_name="molecular_function" all_param_name="molecular_function_all" all_param_value=molecular_function_all %}
318
319
  {% include "multiselection_modal.html" with label="Organism" selected_list=selected_taxonomy unselected_list=taxonomy param_name="taxonomy" all_param_name="taxonomy_all" all_param_value=taxonomy_all %}
  {% include "multiselection_modal.html" with label="Bound complex" selected_list=selected_boundcomplex unselected_list=boundcomplex param_name="boundcomplex" all_param_name="boundcomplex_all" all_param_value=boundcomplex_all %}
320
  {% include "multiselection_modal.html" with label="Partner complex" selected_list=selected_partnercomplex unselected_list=partnercomplex param_name="partnercomplex" all_param_name="partnercomplex_all" all_param_value=boundcomplex_all %}
321
  {% include "multiselection_modal.html" with label="PFAM" selected_list=selected_domain unselected_list=domain param_name="domain" all_param_name="domain_all" all_param_value=domain_all %}
322
  {% include "multiselection_modal.html" with label="Biochemical tests" selected_list=selected_biochtest unselected_list=biochtest param_name="biochtest" all_param_name="biochtest_all" all_param_value=domain_all on_value="test_name" %}
323
  {% include "multiselection_modal.html" with label="Cellular tests" selected_list=selected_celltest unselected_list=celltest param_name="celltest" all_param_name="celltest_all" all_param_value=domain_all on_value="test_name" %}
324
325
326
  {% include "slider_modal.html" with label="Molecular Weight" param_name="molecular_weight" param_min=molecular_weight_min param_max=molecular_weight_max param_value=molecular_weight param_value_min=molecular_weight_value_min param_value_max=molecular_weight_value_max step='50' param_label='Select a cutoff value for the molecular weight of the compounds to be selected'%}
  {% include "slider_modal.html" with label="AlogP" param_name="a_log_p" param_min=a_log_p_min param_max=a_log_p_max param_value=a_log_p param_value_min=a_log_p_value_min param_value_max=a_log_p_value_max step='1' param_label='Select a cutoff value for the AlogP of the compounds to be selected'%}
  {% include "slider_modal.html" with label="H donors" param_name="nb_donor_h" param_min=nb_donor_h_min param_max=nb_donor_h_max param_value=nb_donor_h param_value_min=nb_donor_h_value_min param_value_max=nb_donor_h_value_max step='1' param_label='Select a cutoff value for the number of H donors in the compounds to be selected'%}
327
  {% include "slider_modal.html" with label="H acceptors" param_name="nb_acceptor_h" param_min=nb_acceptor_h_min param_max=nb_acceptor_h_max param_value=nb_acceptor_h param_value_min=nb_acceptor_h_value_min param_value_max=nb_acceptor_h_value_max step='1' param_label='Select a cutoff value for the number of H acceptors in the compounds to be selected'%}
328
  {% include "slider_modal.html" with label="TPSA" param_name="tpsa" param_min=tpsa_min param_max=tpsa_max param_value=tpsa param_value_min=tpsa_value_min param_value_max=tpsa_value_max step='50' param_label='Select a cutoff value for the TPSA of the compounds to be selected'%}
329
  {% include "slider_modal.html" with label="Nb rotatable bonds" param_name="nb_rotatable_bonds" param_min=nb_rotatable_bonds_min param_max=nb_rotatable_bonds_max param_value=nb_rotatable_bonds param_value_min=nb_rotatable_bonds_value_min param_value_max=nb_rotatable_bonds_value_max step='1' param_label='Select a cutoff value for the number of rotatable bounds in the compounds to be selected'%}
330
331
  {% include "slider_modal.html" with label="Nb aromatic SSSR" param_name="nb_aromatic_sssr" param_min=nb_aromatic_sssr_min param_max=nb_aromatic_sssr_max param_value=nb_aromatic_sssr param_value_min=nb_aromatic_sssr_value_min param_value_max=nb_aromatic_sssr_value_max step='1' param_label='Select a cutoff value for the number of aromatic SSSR in the compounds to be selected'%}
  {% include "slider_modal.html" with label="Nb chiral centers" param_name="nb_chiral_centers" param_min=nb_chiral_centers_min param_max=nb_chiral_centers_max param_value=nb_chiral_centers param_value_min=nb_chiral_centers_value_min param_value_max=nb_chiral_centers_value_max step='1' param_label='Select a cutoff value for the number of chiral centers in the compounds to be selected'%}
332
  {% include "slider_modal.html" with label="FSP3" param_name="fsp3" param_min=fsp3_min param_max=fsp3_max param_value=fsp3 param_value_min=fsp3_value_min param_value_max=fsp3_value_max step='0.1' param_label='Select a cutoff value for the FSP3 of the compounds to be selected'%}
333
  {% include "slider_modal.html" with label="Publications" param_name="pubs" param_min=pubs_min param_max=pubs_max param_value=pubs param_value_min=pubs_value_min param_value_max=pubs_value_max  step='1' param_label='Select a cutoff value for the number of publications mentioning the compounds to be selected'%}
334
  {% include "marvinjs_modal.html" with smiles=similar_to_query fingerprint=similar_to_fingerprint use_fingerprints=True %}
335
336
337
  {% include "slider_modal.html" with label="Best Activiry" param_name="best_activity" param_min=best_activity_min param_max=best_activity_max param_value=best_activity param_value_min=best_activity_value_min param_value_max=best_activity_value_max step='1' param_label='Select a cutoff value for the best activity of the compounds to be selected'%}
  {% include "slider_modal.html" with label="LE" param_name="le" param_min=le_min param_max=le_max param_value=le param_value_min=le_value_min param_value_max=le_value_max step='0.1' param_label='Select a cutoff value for the LE of the compounds to be selected'%}
  {% include "slider_modal.html" with label="LLE" param_name="lle" param_min=lle_min param_max=lle_max param_value=lle param_value_min=lle_value_min param_value_max=lle_value_max step='1' param_label='Select a cutoff value for the LLE of the compounds to be selected'%}
338

Hervé  MENAGER's avatar
Hervé MENAGER committed
339
{% endblock %}