pkCSM: Predicting Small-Molecule Pharmacokinetic and Toxicity Properties Using Graph-Based Signatures.
about
Structure-Based Design of 3-(4-Aryl-1H-1,2,3-triazol-1-yl)-Biphenyl Derivatives as P2Y14 Receptor Antagonists.Discovery and development of natural product oridonin-inspired anticancer agentsVariation in Human Cytochrome P-450 Drug-Metabolism Genes: A Gateway to the Understanding of Plasmodium vivax RelapsesPharmacokinetic and Toxicological Evaluation of a Zinc Gluconate-Based Chemical Sterilant Using In Vitro and In Silico ApproachesmCSM-lig: quantifying the effects of mutations on protein-small molecule affinity in genetic disease and emergence of drug resistanceIn silico functional dissection of saturation mutagenesis: Interpreting the relationship between phenotypes and changes in protein stability, interactions and activity.Using Big Data to Discover Diagnostics and Therapeutics for Gastrointestinal and Liver Diseases.Phenotypic evaluation and in silico ADMET properties of novel arylimidamides in acute mouse models of Trypanosoma cruzi infection.Carvacrol derivatives as mushroom tyrosinase inhibitors; synthesis, kinetics mechanism and molecular docking studies.Efficient, large-scale synthesis and preclinical studies of MRS5698, a highly selective A3 adenosine receptor agonist that protects against chronic neuropathic pain.CSM-lig: a web server for assessing and comparing protein-small molecule affinities.Computational analysis of calculated physicochemical and ADMET properties of protein-protein interaction inhibitorsCombating mutations in genetic disease and drug resistance: understanding molecular mechanisms to guide drug design.Exploration of Novel Human Tyrosinase Inhibitors by Molecular Modeling, Docking and Simulation Studies.In vitro efficacy and in-silico analysis of cefixime-ofloxacin combination for Salmonella Typhi from bloodstream infection.mCSM-AB: a web server for predicting antibody-antigen affinity changes upon mutation with graph-based signaturesSwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules.The Trypanocidal Effect of Novel Quinolines: In vitro And In vivo Studies.Computer-Aided Drug Design Applied to Marine Drug Discovery: Meridianins as Alzheimer's Disease Therapeutic Agents.Novel Benzylidene Thiazolidinedione Derivatives as Partial PPARγ Agonists and their Antidiabetic Effects on Type 2 Diabetes.A census of P. longum's phytochemicals and their network pharmacological evaluation for identifying novel drug-like molecules against various diseases, with a special focus on neurological disorders.New role of phenothiazine derivatives as peripherally acting CB1 receptor antagonizing anti-obesity agents.Discovery of Therapeutic Lead Molecule Against β-Tubulin Using Computational Approach.Ensemble learning method for the prediction of new bioactive molecules.Hybrid Pharmacophoric Approach in the Design and Synthesis of Coumarin Linked Pyrazolinyl as Urease Inhibitors, Kinetic Mechanism and Molecular Docking.Discovery of ERBB3 inhibitors for non-small cell lung cancer (NSCLC) via virtual screening.Structural insights into the binding mode and conformational changes of BSA induced by bixin and crocin.Isolation, characterization, and in silico, in vitro and in vivo antiulcer studies of isoimperatorin crystallized from Ostericum koreanum.MetStabOn-Online Platform for Metabolic Stability Predictions.Fragment-Based Approach to Targeting Inosine-5'-monophosphate Dehydrogenase (IMPDH) from Mycobacterium tuberculosis.Epiisopilosine alkaloid has activity against Schistosoma mansoni in mice without acute toxicity.Molecular Docking and Dynamic Simulation of AZD3293 and Solanezumab Effects Against BACE1 to Treat Alzheimer's Disease.ADMETlab: a platform for systematic ADMET evaluation based on a comprehensively collected ADMET database.Changing Trends in Computational Drug Repositioning.Kororamides, Convolutamines, and Indole Derivatives as Possible Tau and Dual-Specificity Kinase Inhibitors for Alzheimer's Disease: A Computational StudyPre-clinical evaluation of quinoxaline-derived chalcones in tuberculosisIn Silico, In Vitro and In Vivo Toxicological Assessment of BPP-BrachyNH2, A Vasoactive Proline-Rich Oligopeptide from Brachycephalus ephippium
P2860
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P2860
pkCSM: Predicting Small-Molecule Pharmacokinetic and Toxicity Properties Using Graph-Based Signatures.
description
2015 nî lūn-bûn
@nan
2015年の論文
@ja
2015年論文
@yue
2015年論文
@zh-hant
2015年論文
@zh-hk
2015年論文
@zh-mo
2015年論文
@zh-tw
2015年论文
@wuu
2015年论文
@zh
2015年论文
@zh-cn
name
pkCSM: Predicting Small-Molecu ...... Using Graph-Based Signatures.
@ast
pkCSM: Predicting Small-Molecu ...... Using Graph-Based Signatures.
@en
type
label
pkCSM: Predicting Small-Molecu ...... Using Graph-Based Signatures.
@ast
pkCSM: Predicting Small-Molecu ...... Using Graph-Based Signatures.
@en
prefLabel
pkCSM: Predicting Small-Molecu ...... Using Graph-Based Signatures.
@ast
pkCSM: Predicting Small-Molecu ...... Using Graph-Based Signatures.
@en
P2860
P50
P1476
pkCSM: Predicting Small-Molecu ...... s Using Graph-Based Signatures
@en
P2093
Douglas E V Pires
P2860
P304
P356
10.1021/ACS.JMEDCHEM.5B00104
P407
P577
2015-04-22T00:00:00Z