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Calculator plugins logp logd pka etc

12 09 2019
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Occurrence of emerging persistent and mobile organic contaminants in European water samples

The release of persistent and mobile organic chemicals (PMOCs) into the aquatic environment puts...

12 09 2019
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In Silico Fragment-Based Design Identifies Subfamily B1 Metallo-B- lactamase Inhibitors

Zinc ion-dependent β-lactamases (MBLs) catalyze the hydrolysis of almost all β-lactam antibiotics...

12 09 2019
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Potent 3-Hydroxy-2-Pyridine Aldoxime Reactivators of Organophosphate-Inhibited Cholinesterases with Predicted Blood–Brain Barrier Penetration

A new series of 3-hydroxy-2-pyridine aldoxime compounds have been designed, synthesised and tested...

03 09 2019
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Rapid chemical intelligence for your web

The new Chemicalize Pro made its debut on the market recently, offering a wide range of...

13 09 2016
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Chemicalize

Chemicalize was created as a free, online demonstration and advertising application of ChemAxon’s...

13 09 2013
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mcule.com: Drug Discovery Online

Mcule.com is an online, integrated drug discovery platform that offers molecular modeling tools for...

03 09 2012
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Scripting Dotmatics Vortex 3

ChemAxon's Calculator (cxcalc) is a really useful command line program in Marvin Beans and JChem...

12 09 2011
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Comparison of Nine Programs Predicting pKa Values of Pharmaceutical Substances

Knowledge of the possible ionization states of a pharmaceutical substance, embodied in the pKa...