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Databases, Chemical

Known as: Chemical Database, Chemical Databases, Database, Chemical 
Databases devoted to knowledge about specific chemicals.
National Institutes of Health

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Databases, Molecularlegislation & jurisprudencestandards characteristics

Papers overview

Semantic Scholar uses AI to extract papers important to this topic.
2018
2018
An integrated strategy for rapid discovery and identification of quality markers in Guanxin Kangtai preparation using UHPLC-TOF/MS and multivariate statistical analysis.
2015
2015
Novel chemical scaffolds of the tumor marker AKR1B10 inhibitors discovered by 3D QSAR pharmacophore modeling
Aim:Recent evidence suggests that aldo-keto reductase family 1 B10 (AKR1B10) may be a potential diagnostic or prognostic marker… 
Highly Cited
2012
Highly Cited
2012
MolFind: a software package enabling HPLC/MS-based identification of unknown chemical structures.
In this paper, we present MolFind, a highly multithreaded pipeline type software package for use as an aid in identifying… 
2012
2012
Prediction Models of P-Glycoprotein Substrates Using Simple 2D and 3D Descriptors by a Recursive Partitioning Approach
E-mail: kyn@youai.co.krReceived October 31, 2011, Accepted December 21, 2011P-gp (P-glycoprotein) is a member of the ATP binding… 
2010
2010
Self-similar behavior and chemistry tabulation of burnt-gas diluted premixed flamelets including heat-loss
In many combustion systems, the reactive gases feeding the reaction zones are diluted by burnt products, to favor flame… 
2010
2010
In silico identification and biochemical evaluation of novel inhibitors of NRH:quinone oxidoreductase 2 (NQO2).
2008
2008
Discovery of a Drug‐Like G‐Quadruplex Binding Ligand by High‐Throughput Docking
There has been considerable interest in the study of G-quadruplex DNA owing to its involvement in the regulation of telomerase… 
2008
2008
Combating the threat of anthrax: a quantitative structure-activity relationship approach.
Bacterial agents or products more likely to be used as biological weapons of mass destruction are Bacillus anthracis, Francisella… 
2006
2006
A combined ligand-based and target-based drug design approach for G-protein coupled receptors: application to salvinorin A, a selective kappa opioid receptor agonist
Combined ligand-based and target-based drug design approaches provide a synergistic advantage over either method individually… 
1998
1998
CoMFA-based prediction of agonist affinities at recombinant D1 vs D2 dopamine receptors.
We have previously shown that using agonist affinity at recombinant receptors selectively expressed in clonal cells as the… 
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