Physicochemical Qsar Analysis Of Herg Inhibition Revisited

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Physicochemical QSAR analysis of hERG inhibition revisited: towards a quantitative potency prediction 相关领域赫尔格可解释性数量结构-活动关系广告计算机科学 Physicochemical QSAR analysis of hERG inhibition revisited: towards a quantitative potency prediction Article Full-text available Oct 2022 J COMPUT AID MOL DES

Deep Learning-Based Prediction of Drug-Induced Cardiotoxicity

Relationship between hERG half-inhibitory concentrations and ...

Further, we explored principal component (PC) analysis, t-SNE, scaffold analysis, active cliff, fingerprint analysis and chemical analyses to identify molecular similarity. We discovered that

Request PDF | Deep Learning-Based Prediction of Drug-Induced Cardiotoxicity | Blockade of human ether-à-go-go-related gene (hERG) channel by small molecules induces Physicochemical QSAR analysis of hERG inhibition revisited: towards a quantitative potency prediction Article Full-text available Oct 2022 J COMPUT AID MOL DES

Physicochemical QSAR analysis of hERG inhibition revisited: towards a quantitative potency prediction Article Full-text available Oct 2022 J COMPUT AID MOL DES The inhibition of hERG channels is one of the main predictions of anti-targets based on structure-activity relationships (QSAR) in the characterization of new drugs since it reveals The construction of an integrated database for hERG blocking small molecules provided similar mean values of 12 physicochemical properties difference between hERG

Physicochemical QSAR analysis of hERG inhibition revisited: towards a quantitative potency prediction Article Full-text available Oct 2022 J COMPUT AID MOL DES

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hERG toxicity assessment: Useful guidelines for drug design

Also, using the same training and test sets, a 2D-QSAR model based on a heuristic machine-learning method was developed in order to analyze the physicochemical characters of hERG Physicochemical QSAR analysis of hERG inhibition revisited: towards a quantitative potency prediction Article Full-text available Oct 2022 Kiril Physicochemical QSAR analysis of hERG inhibition revisited: towards a quantitative potency prediction

Also, using the same training and test sets, a 2D-QSAR model based on a heuristic machine-learning method was developed in order to analyze the physicochemical characters of hERG Also, using the same training and test sets, a 2D-QSAR model based on a heuristic machine-learning method was developed in order to analyze the physicochemical The inhibition of hERG trafficking can serve as an alternative pathway for small molecules to reduce hERG density in the surface membrane, thereby, lowering potassium ions

hERG toxicity assessment: Useful guidelines for drug design

Investigating, to what extent hERG inhibitor specificity can be predicted using a minimal set of simple physicochemical parameters describing non-specific interactions between hERG and Physicochemical QSAR analysis of hERG inhibition revisited: towards a quantitative potency prediction Article Full-text available Oct 2022 J COMPUT AID MOL DES Similar publications Physicochemical QSAR analysis of hERG inhibition revisited: towards a quantitative potency prediction Article Full-text available Oct 2022

In other words, estimating the cardiac toxicity of organic hERG blockers is an important theoretical and practical task of medicinal chemistry. Potential hERG inhibitors must be identified for drug Physicochemical QSAR analysis of hERG inhibition revisited: towards a quantitative potency prediction K. Lanevskij, R. Didziapetris, A. Sazonovas Biology Journal of Computer-Aided

Physicochemical QSAR analysis of hERG inhibition revisited: towards a quantitative potency prediction Article Full-text available Oct 2022 J COMPUT AID MOL DES Kiril Lanevskij Drug-induced inhibition of the human ether-à-go-go-related gene (hERG)-encoded potassium ion channels can lead to fatal cardiotoxicity. Numbers in parentheses denote relative importance of the variables in the model from publication: Physicochemical QSAR analysis of hERG inhibition revisited: towards a quantitative potency

Physicochemical QSAR analysis of hERG inhibition revisited: towards a quantitative potency prediction Article Full-text available Oct 2022 J COMPUT AID MOL DES Physicochemical QSAR analysis of hERG inhibition revisited: towards a quantitative potency prediction K. LanevskijR. DidziapetrisA. Sazonovas Chemistry, Medicine Journal of Computer Physicochemical QSAR analysis of hERG inhibition revisited: towards a quantitative potency prediction Article Full-text available Oct 2022 J COMPUT AID MOL DES

Additional Links Read the article: Kiril Lanevskij, Remigijus Didziapetris, Andrius Sazonovas. (2022). Physicochemical QSAR analysis of The hERG membrane potential assay could detect potent hERG inhibitors (defined by hERG patch clamp IC (50)<0.1 muM) using HEK293-hERG cells, but were prone to Kiril Lanevskij, Remigijus Didziapetris, Andrius Sazonovas: Physicochemical QSAR analysis of hERG inhibition revisited: towards a quantitative potency prediction. J. Comput. Aided Mol.

Similar publications Physicochemical QSAR analysis of hERG inhibition revisited: towards a quantitative potency prediction Article Full-text available Oct 2022 Physicochemical QSAR analysis of hERG inhibition revisited: towards a quantitative potency prediction Article Full-text available Oct 2022 J COMPUT AID MOL DES Kiril Lanevskij Cholesteryl ester transfer protein (CETP) represents one of the key regulators of the homeostasis of lipid particles, including high-density lipoprotein (HDL) and low-density

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Physicochemical QSAR analysis of hERG inhibition revisited: towards a quantitative potency prediction Article Full-text available Oct 2022 Reference: Physicochemical QSAR analysis of hERG inhibition revisited: towards a quantitative potency prediction

In an earlier study (Didziapetris R & Lanevskij K (2016). J Comput Aided Mol Des. 30:1175–1188) we collected a database of publicly available hERG inhibition data for almost 6700 drug-like

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