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Library enumeration, virtual synthesis and metabolite generation  Moderators: mvargyas, Gyuri, Ferenc, Nora, Zsolt, aszabo		Goto page 1, 2, 3  Next
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Topics		Replies	Author	Views	Last Post
	Sticky: Known Reaction Editor Issue with Java 1.5	0	csepi	1251	Tue Dec 11, 2007 3:13 pm csepi
	Sticky: Useful resources	0	alexa	14322	Tue Jun 01, 2004 10:54 am alexa
	Should reactions Smarts be aromatized ?	5	creisser	950	Wed May 28, 2008 3:22 pm Gyuri
	foolish question: where is the reaction library?	2	snipher	557	Thu May 08, 2008 10:42 am alexa
	Can Fragmenter get same UID while different fragment?	7	lirong	1101	Mon May 05, 2008 7:59 am mvargyas
	Reaction perception	1	theoryno3	645	Wed Apr 16, 2008 8:59 am Zsolt
	Synthesizer Output	1	sumamohan	636	Mon Apr 07, 2008 3:49 pm Zsolt
	Export of enumerated Markush structures	9	srohrer	1711	Mon Mar 17, 2008 4:43 pm srohrer
	Superatom groups in Reactor 3.2	2	daveroe	6048	Wed Mar 12, 2008 11:35 am Gyuri
	Synthesizer Exhaustive Example Error	1	darcy	802	Mon Mar 10, 2008 11:04 pm mvargyas
	Status Synthesizer Reactor Metabolizer	5	darcy	1062	Fri Mar 07, 2008 8:53 pm Gyuri
	Enumeration of library with macrocycles of varying ring size	3	mazit	1072	Wed Feb 20, 2008 4:58 pm Gyuri
	retain building block information when enumerating library	7	mazit	1432	Tue Feb 19, 2008 3:37 am mazit
	Activity data in Fragment statistics	1	achuz	840	Mon Feb 11, 2008 10:47 pm mvargyas
	Stereochemistry in unmapped atoms	3	turn0265	1461	Mon Feb 04, 2008 7:50 pm turn0265
	Separating Molecules based on their structure	1	cherman727	1012	Fri Jan 25, 2008 3:52 pm Gyuri
	stereochemistry workaround	5	bobgr	2207	Wed Jan 23, 2008 10:33 pm Gyuri
	about Chirality flag	1	wanda_me	1120	Wed Jan 23, 2008 1:31 pm Zsolt
	jc_react - reaction on all possible sites	2	creisser	1527	Wed Jan 02, 2008 6:21 pm creisser
	Standardization, SMILES format and CoA issues in Reactor	3	Gyuri	1746	Fri Nov 16, 2007 6:51 pm Gyuri
	Remove by products in Synthesizer	1	achuz	2468	Tue Nov 13, 2007 9:09 am Zsolt
	R group Enumeration	2	ak.pandey	1710	Thu Nov 08, 2007 9:21 am Szabolcs
	Running multiple Reactions	1	anil.manchala	1480	Thu Oct 25, 2007 12:13 pm Gyuri
	&& aliphaticAtom(ratom(1))	4	bobgr	6828	Wed Oct 24, 2007 10:18 am Zsolt
	products export	2	mvlaacchi	1632	Thu Oct 18, 2007 3:28 pm mvlaacchi
	GUI for Reactor	18	namnyef	14604	Tue Oct 16, 2007 1:43 pm Zsolt
	Reactor Behaviour	4	fengjun	2257	Mon Oct 15, 2007 11:58 am Zsolt
	matching problem in exclude rule	7	bobgr	2238	Sat Oct 06, 2007 2:48 am bobgr
	stack overflow error	6	bobgr	2243	Tue Oct 02, 2007 4:33 pm bobgr
	chemical scaffold	1	isi	1550	Tue Oct 02, 2007 8:16 am mvargyas
	Friedel-Crafts selectivity	14	bobgr	3655	Mon Sep 17, 2007 1:18 pm bobgr
	Grignard compound addition to carbonyls	3	bobgr	2048	Mon Sep 10, 2007 4:03 pm Zsolt
	Inability to predict SMILES strings	3	Rlong	6009	Tue Sep 04, 2007 2:10 pm turn0265
	SMARTS and SMIRKS templates for Reactor	5	TobiasKind	2381	Mon Aug 27, 2007 2:09 pm Gyuri
	academic license key for R group Decompsition	3	achuz	2601	Thu Aug 16, 2007 6:12 pm mvargyas
	Problem with predicting SMILES	1	turn0265	1751	Tue Aug 14, 2007 4:09 pm Zsolt
	react() and selectivity rules	9	bobgr	2871	Tue Aug 14, 2007 3:54 pm Zsolt
	mapping bug?	2	bobgr	1818	Tue Aug 14, 2007 2:53 pm bobgr
	Diels-Alder reaction	17	bobgr	4984	Thu Aug 09, 2007 4:14 pm bobgr
	stoichiometry problem	16	bobgr	4276	Mon Aug 06, 2007 5:50 pm Gyuri
	selectivity again	1	bobgr	1748	Mon Aug 06, 2007 11:56 am Zsolt
	reaction exception due to standardizer	2	bobgr	1837	Wed Aug 01, 2007 3:06 pm bobgr
	intramolecular reactions	20	bobgr	14552	Thu Jul 26, 2007 10:47 am Zsolt
	Can I set these parameters in FragmenterAll.xm configuration	1	mylife1982	1667	Tue Jul 24, 2007 1:08 pm Zsolt
	How to set the maximum molecular weight of fragments?	1	mylife1982	1583	Tue Jul 24, 2007 10:04 am Gyuri
	jc_react and Extended smiles format	5	creisser	2373	Wed Jul 18, 2007 9:07 am creisser
	inconsistency in behavior	5	bobgr	2412	Wed Jul 18, 2007 5:51 am bobgr
	setReactant() or setReactants()?	2	bobgr	2034	Tue Jul 17, 2007 9:59 am Zsolt
	How to set the maximum molmass of fragments in the .xml file	0	mylife1982	1657	Sat Jul 14, 2007 3:52 am mylife1982
	Complete Fragmentation	5	lb02f962	4017	Thu Jul 12, 2007 8:29 am mvargyas
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