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	<title>Quantum Discovery Labs &#187; toxicity</title>
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		<title>Does size matter?</title>
		<link>http://q-pharm.com/2010/04/does-size-matter/</link>
		<comments>http://q-pharm.com/2010/04/does-size-matter/#comments</comments>
		<pubDate>Fri, 23 Apr 2010 09:37:58 +0000</pubDate>
		<dc:creator>Peter Fedichev, Quantum CTO</dc:creator>
				<category><![CDATA[druglikeness]]></category>
		<category><![CDATA[openbabel]]></category>
		<category><![CDATA[toxicity]]></category>

		<guid isPermaLink="false">http://q-pharm.com/?p=220</guid>
		<description><![CDATA[The goal of drug discovery is to find potent and selective inhibitors for particular targets. A good ligand thus should be small (for better bio-availability) and potent. 
The larger is [...]


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<li><a href='http://q-pharm.com/2008/06/docking-validation-study-classic-example-thrombine/' rel='bookmark' title='Docking validation study: classic example, thrombine'>Docking validation study: classic example, thrombine</a></li>
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		<slash:comments>1</slash:comments>
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		<title>Do we need those nM-inhibitors?</title>
		<link>http://q-pharm.com/2009/11/do-we-need-those-nm-inhibitors/</link>
		<comments>http://q-pharm.com/2009/11/do-we-need-those-nm-inhibitors/#comments</comments>
		<pubDate>Wed, 11 Nov 2009 13:46:28 +0000</pubDate>
		<dc:creator>Peter Fedichev, Quantum CTO</dc:creator>
				<category><![CDATA[druglikeness]]></category>
		<category><![CDATA[LD50]]></category>
		<category><![CDATA[MRDD]]></category>
		<category><![CDATA[toxicity]]></category>

		<guid isPermaLink="false">http://q-pharm.com/?p=122</guid>
		<description><![CDATA[It&#8217;s &#8220;well known&#8221; that we all need to find the stronger inhibitors against any specific therapeutic target as possible. The motivation is that the strongest inhibitors are most probably less [...]


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<li><a href='http://q-pharm.com/2011/06/new-map17-matrix-protein-inhibitors-display-broad-antiviral-activity-against-multiple-subtypes-of-hiv-1/' rel='bookmark' title='New MA/p17 matrix protein inhibitors display broad antiviral activity against multiple subtypes of HIV-1'>New MA/p17 matrix protein inhibitors display broad antiviral activity against multiple subtypes of HIV-1</a></li>
<li><a href='http://q-pharm.com/2008/09/from-biological-spectra-multiple-protein-binding-data-to-pharmacological-profiling/' rel='bookmark' title='From Biological Spectra (multiple protein binding data) to pharmacological profiling!'>From Biological Spectra (multiple protein binding data) to pharmacological profiling!</a></li>
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<li><a href='http://q-pharm.com/2011/04/influenza-matrix-m1-protein-inhibitors-show-promising-in-vivo-efficacy/' rel='bookmark' title='Influenza matrix M1 protein inhibitors show promising in-vivo efficacy'>Influenza matrix M1 protein inhibitors show promising in-vivo efficacy</a></li>
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		<wfw:commentRss>http://q-pharm.com/2009/11/do-we-need-those-nm-inhibitors/feed/</wfw:commentRss>
		<slash:comments>1</slash:comments>
		</item>
		<item>
		<title>How drug-like are vendor libraries?</title>
		<link>http://q-pharm.com/2009/10/how-drug-like-are-vendor-libraries/</link>
		<comments>http://q-pharm.com/2009/10/how-drug-like-are-vendor-libraries/#comments</comments>
		<pubDate>Mon, 26 Oct 2009 17:24:24 +0000</pubDate>
		<dc:creator>Peter Fedichev, Quantum CTO</dc:creator>
				<category><![CDATA[compound libraries]]></category>
		<category><![CDATA[druglikeness]]></category>
		<category><![CDATA[mechanism of action exploration]]></category>
		<category><![CDATA[toxicity]]></category>

		<guid isPermaLink="false">http://q-pharm.com/?p=63</guid>
		<description><![CDATA[We use a few chemical compounds vendors in our drug discovery programs (let us call them &#8220;Provider I&#8221;, &#8220;Provider II&#8221;, and &#8220;Provider III&#8221;). Nowadays chemicals providers normally claim about 1M [...]


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</ol>

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		<slash:comments>0</slash:comments>
		</item>
		<item>
		<title>From Biological Spectra (multiple protein binding data) to pharmacological profiling!</title>
		<link>http://q-pharm.com/2008/09/from-biological-spectra-multiple-protein-binding-data-to-pharmacological-profiling/</link>
		<comments>http://q-pharm.com/2008/09/from-biological-spectra-multiple-protein-binding-data-to-pharmacological-profiling/#comments</comments>
		<pubDate>Thu, 25 Sep 2008 12:53:00 +0000</pubDate>
		<dc:creator>fedichev</dc:creator>
				<category><![CDATA[absorbtion]]></category>
		<category><![CDATA[active transport]]></category>
		<category><![CDATA[ADME]]></category>
		<category><![CDATA[bioavailability]]></category>
		<category><![CDATA[toxicity]]></category>

		<guid isPermaLink="false">http://q-pharm.com/?p=39</guid>
		<description><![CDATA[An ideal drug cures a decease and does not kill a patient (or even lab animals in the course of preclinical testing). Usual drug discovery paradigm is based on studying [...]


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<li><a href='http://q-pharm.com/2007/09/quantum-and-albumin-binding-calculations-the-role-of-protein-flexibility/' rel='bookmark' title='QUANTUM and HSA binding calculations: the role of protein flexibility'>QUANTUM and HSA binding calculations: the role of protein flexibility</a></li>
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</ol>

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		<wfw:commentRss>http://q-pharm.com/2008/09/from-biological-spectra-multiple-protein-binding-data-to-pharmacological-profiling/feed/</wfw:commentRss>
		<slash:comments>0</slash:comments>
		</item>
		<item>
		<title>LD50 vs. MRDD: what&#8217;s death for a mice is good enough for a man</title>
		<link>http://q-pharm.com/2008/01/ld50-vs-mrdd-whats-death-for-a-mice-is-good-enough-for-a-man/</link>
		<comments>http://q-pharm.com/2008/01/ld50-vs-mrdd-whats-death-for-a-mice-is-good-enough-for-a-man/#comments</comments>
		<pubDate>Thu, 24 Jan 2008 20:00:00 +0000</pubDate>
		<dc:creator>fedichev</dc:creator>
				<category><![CDATA[LD50]]></category>
		<category><![CDATA[MRDD]]></category>
		<category><![CDATA[toxicity]]></category>

		<guid isPermaLink="false">http://q-pharm.com/?p=24</guid>
		<description><![CDATA[Prediction of toxic properties of small drug like molecules is a big challenge both from theoretical and practical points of view. Quantitatively people use different measures of toxicity such as [...]


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<li><a href='http://q-pharm.com/2008/01/drug-likeness-what-do-bioavailability-and-toxicity-properties-tell-us-about-druglikeness/' rel='bookmark' title='Drug likeness: what do bioavailability and toxicity properties tell us about druglikeness?'>Drug likeness: what do bioavailability and toxicity properties tell us about druglikeness?</a></li>
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</ol>

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