Zinc15 property exports - Revision history

Frodo at 23:39, 7 November 2014

2014-11-07T23:39:16Z

← Older revision		Revision as of 23:39, 7 November 2014
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	== Level 6 - charge ==		== Level 6 - charge ==
	# A <= -2 ; B = -1 ; C = 0 ; D = +1 ; E = >= 2		# A <= -2 ; B = -1 ; C = 0 ; D = +1 ; E = >= 2

			= Examples =

			Lead-like: [ABCDE][ABCDEFG]/[01][*][ABCD]
			Frag-like: [AB][ABCDEFG]/[01][*][ABCD]

Frodo: /* Level 5 - best purch */

2014-11-07T23:37:16Z

Level 5 - best purch

← Older revision		Revision as of 23:37, 7 November 2014
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	== Level 5 - best purch ==		== Level 5 - best purch ==
	~~<pre>~~		A = premier (50), B = in-stock (40), C = agent (30), D = on-demand (20), E = boutique (10), F = not for sale
	~~$third{~~A} = "50";
	~~$third{~~B} = "40";
	~~$third{~~C} = "30";
	~~$third{~~D} = "20";
	~~$third{~~E} = "10";
	~~$third{~~F} = ~~"0";~~
	~~</pre>~~

	== Level 6 - charge ==		== Level 6 - charge ==
	# A <= -2 ; B = -1 ; C = 0 ; D = +1 ; E = >= 2		# A <= -2 ; B = -1 ; C = 0 ; D = +1 ; E = >= 2

Frodo: /* Level 4 - clean */

2014-11-07T23:35:49Z

Level 4 - clean

← Older revision		Revision as of 23:35, 7 November 2014
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	# 2 = lo, gs, ph 6.4 ish ; 3 = hi, gs, ph 8.4 ish ; 4 = hei; 5 = covalent		# 2 = lo, gs, ph 6.4 ish ; 3 = hi, gs, ph 8.4 ish ; 4 = hei; 5 = covalent
	== Level 4 - clean ==		== Level 4 - clean ==
			A = Unknown, B = Clean, C= weak nucleophile, D = weak eletrophile, E = hot
	~~<pre>~~		NB currently only A in use.
	~~$second{~~A} = "Unknown";
	~~$second{~~B} = "Clean";
	~~$second{~~C} = ~~"Blah";~~
	~~$second{~~D} = ~~"DAH";~~
	~~</pre>~~

	== Level 5 - best purch ==		== Level 5 - best purch ==

Frodo: /* Level 2 - logP */

2014-11-07T23:34:35Z

Level 2 - logP

@@ Line 5: / Line 5: @@
 == Level 2 - logP  ==
-<pre>
+ A < -1 < B < 0 < C < 1 < D < 2 < E < 2.5 < F < 3 < G < 3.5 < H < 4 < I < 4.5 < J < 5 < K
 = Tier 2 =

Frodo: /* Level 1 - mwt */

2014-11-07T23:33:24Z

Level 1 - mwt

@@ Line 2: / Line 2: @@
 = Tier 1 =
 == Level 1 - mwt ==
-<pre>
+ A < 200 < B < 250 < C < 300 < D < 325 < E < 350 < F < 375 < G < 400 < H < 425 < I < 450 < J < 500 < K < 999
 == Level 2 - logP  ==

Frodo: Created page with " = Tier 1 = == Level 1 - mwt ==

 $first{A} = " < 200"; $first{B} = " between 200 and 250"; $first{C} = " between 250 and 300"; $first{D} = " between 300 and 325"; $first{..."

2014-11-07T23:31:53Z

Created page with " = Tier 1 = == Level 1 - mwt == <pre> $first{A} = " < 200"; $first{B} = " between 200 and 250"; $first{C} = " between 250 and 300"; $first{D} = " between 300 and 325"; $first{..."

New page

= Tier 1 =
== Level 1 - mwt ==
<pre>
$first{A} = " < 200";
$first{B} = " between 200 and 250";
$first{C} = " between 250 and 300";
$first{D} = " between 300 and 325";
$first{E} = " between 325 and 350";
$first{F} = " between 350 and 375";
$first{G} = " between 375 and 400";
$first{H} = " between 400 and 425";
$first{I} = " between 425 and 450";
$first{J} = " between 450 and 500";
$first{K} = " > 500";
</pre>

== Level 2 - logP ==
<pre>
$second{A} = " < -1";
$second{B} = " between -1 and 0";
$second{C} = " between 0 and 1";
$second{D} = " between 1 and 2";
$second{E} = " between 2 and 2.5";
$second{F} = " between 2.5 and 3";
$second{G} = " between 3 and 3.5";
$second{H} = " between 3.5 and 4";
$second{I} = " between 4 and 4.5";
$second{J} = " between 4.5 and 5";
$second{K} = " > 5 ";
</pre>

= Tier 2 =
== Level 3 - ph_mod_fk ==
# 0 = ref, gs, ph 7.4 ; 1 = mid, gs, additional, ph 7 - 8
# 2 = lo, gs, ph 6.4 ish ; 3 = hi, gs, ph 8.4 ish ; 4 = hei; 5 = covalent
== Level 4 - clean ==

<pre>
$second{A} = "Unknown";
$second{B} = "Clean";
$second{C} = "Blah";
$second{D} = "DAH";
</pre>

== Level 5 - best purch ==
<pre>
$third{A} = "50";
$third{B} = "40";
$third{C} = "30";
$third{D} = "20";
$third{E} = "10";
$third{F} = "0";
</pre>

== Level 6 - charge ==
# A <= -2 ; B = -1 ; C = 0 ; D = +1 ; E = >= 2