oemedchem toolkit (OpenEye Scientific Software Inc)
90
Structured Review
OpenEye Scientific Software Inc
oemedchem toolkit
Oemedchem Toolkit, supplied by OpenEye Scientific Software Inc, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/oemedchem+toolkit/oemedchem+toolkit/pmc06367941-395-25-28
Average 90 stars, based on 1 article reviews
Oemedchem Toolkit, supplied by OpenEye Scientific Software Inc, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/oemedchem+toolkit/oemedchem+toolkit/pmc06367941-395-25-28
Average 90 stars, based on 1 article reviews
oemedchem toolkit - by Bioz Stars,
2026-09
90/100 stars
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Generated:Article Title: p K a measurements for the SAMPL6 prediction challenge for a set of kinase inhibitor-like fragments Article Snippet: An aliquot of 25 μL of mid-range buffer (14.7 mM K 2 HPO 4 and 0.15 M KCl in H 2 O) was added to each sample, transferred with a micropipette (Rainin EDP3 LTS 10–100 μL) to provide enough buffering capacity in middle pH ranges so that pH could be controlled incrementally throughout the titration. pH is temperature and ionic-strength dependent. .. The sources we checked for publicly available experimental log P values were the following: DrugBank [ 43 ] (queried with eMolecules SMILES), ChemSpider [ 44 ] (queried by canonical isomeric SMILES), NCI Open Database August 2006 release [ 45 ], Enhanced NCI Database Browser [ 46 ] (queried with canonical isomeric SMILES), and PubChem [ 47 ] (queried with InChIKeys generated from canonical isomeric SMILES with NCI CACTUS Chemical Identifier Resolver [ 48 ]). . Filtering for kinase inhibitor-like scaffolds In order to include common scaffolds found in kinase inhibitors, we analyzed the frequency of rings found in FDA-approved kinase inhibitors via Bemis-Murcko fragmentation using |