blob: 85823b513235e9db18b9e41c0144c79c613ad128 (
plain)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
|
%dl#lazar_algorithm
%dt
%code lazar
prediction
(
= hide_link "#lazar_algorithm"
)
%dd
%p
%code lazar
searches the training dataset for
= toggle_link "#similarity", "similar"
compounds
%em (neighbors)
and calculates the prediction from their measured activities.
%code lazar
calculates predictions using
%ul
%li
a majority vote (weighted by compound similarity) for
%em classification
(
%a{:href => "http://www.in-silico.de/articles/modi020905.pdf", :rel => "external"} original publication
)
%li
a local QSAR model based on neighbors for
%em regression
(
%a{:href => "http://www.in-silico.de/articles/mh_tf.pdf", :rel => "external"} original publication
)
%p
= toggle_link "#significant_fragments", "Significant fragments"
are highlighted in the structure display as follows:
%ul
%li
.active activating fragments
%li
.inactive deactivating fragments
%li
.inconclusive regions, where activating and deactivating fragments overlap
%li
.other inert parts
%p
Please keep in mind that predictions are based on the measured activities of neighbors.
= toggle_link "#significant_fragments", "Significant fragments"
are solely used to determine
= toggle_link "#similarity", "activity specific similarities"
of neighbors.
|