Jeremy R. Ash
Works (11)
Updated: July 15th, 2023 21:19
2022 journal article
Confidence bands and hypothesis tests for hit enrichment curves
JOURNAL OF CHEMINFORMATICS, 14(1).
author keywords: Virtual screening; Enrichment factor; Lift curve; Early enrichment; Ranking algorithm; Empirical process
jcheminf.biomedcentral.com (publisher PDF)
Source: Web Of Science
Added: August 8, 2022
2021 journal article
Race and smoking status associated with paclitaxel drug response in patient-derived lymphoblastoid cell lines
PHARMACOGENETICS AND GENOMICS, 31(2), 48–52.
author keywords: dose-response; lymphoblastoid cell lines; paclitaxel; patient-derived cell lines; pharmacogenomics; smoking
MeSH headings : Breast Neoplasms / drug therapy; Breast Neoplasms / genetics; Breast Neoplasms / pathology; Cell Line, Tumor; Cell Survival / drug effects; Dose-Response Relationship, Drug; Drug Resistance, Neoplasm / genetics; Female; Humans; Middle Aged; Paclitaxel / adverse effects; Paclitaxel / pharmacology; Pharmacogenetics; Racial Groups / genetics; Smoking / adverse effects; Smoking / genetics
Source: Web Of Science
Added: May 10, 2021
2020 journal article
Structural-based connectivity and omic phenotype evaluations (SCOPE): a cheminformatics toolbox for investigating lipidomic changes in complex systems
ANALYST, 145(22), 7197–7209.
MeSH headings : Cheminformatics; Lipidomics; Lipids; Mass Spectrometry; Phenotype
Sources: Web Of Science, ORCID
Added: November 24, 2020
2020 journal article
Unveiling molecular signatures of preeclampsia and gestational diabetes mellitus with multi-omics and innovative cheminformatics visualization tools
MOLECULAR OMICS, 16(6).
MeSH headings : Case-Control Studies; Diabetes, Gestational / genetics; Female; Genomics; Humans; Lipidomics; Metabolic Networks and Pathways; Pre-Eclampsia / genetics; Pregnancy
Sources: Web Of Science, ORCID
Added: January 4, 2021
2019 review
4D-quantitative structure-activity relationship modeling: making a comeback
[Review of ]. EXPERT OPINION ON DRUG DISCOVERY, 14(12), 1227–1235.
author keywords: 4D descriptors; cheminformatics; QSAR; molecular dynamics
MeSH headings : Drug Design; Drug Discovery / methods; Humans; Ligands; Models, Molecular; Molecular Dynamics Simulation; Pharmaceutical Preparations / chemistry; Quantitative Structure-Activity Relationship
Source: Web Of Science
Added: September 30, 2019
2019 journal article
Cheminformatics approach to exploring and modeling trait-associated metabolite profiles
JOURNAL OF CHEMINFORMATICS, 11.
author keywords: Metabolomics; Data mining; Cheminformatics; Molecular fragmentation; Statistics; Visualization; Chemical structure
Source: Web Of Science
Added: July 15, 2019
2019 journal article
Community assessment to advance computational prediction of cancer drug combinations in a pharmacogenomic screen
NATURE COMMUNICATIONS, 10.
MeSH headings : ADAM17 Protein / antagonists & inhibitors; Antineoplastic Combined Chemotherapy Protocols / pharmacology; Antineoplastic Combined Chemotherapy Protocols / therapeutic use; Benchmarking; Biomarkers, Tumor / genetics; Cell Line, Tumor; Computational Biology / methods; Computational Biology / standards; Datasets as Topic; Drug Antagonism; Drug Resistance, Neoplasm / drug effects; Drug Resistance, Neoplasm / genetics; Drug Synergism; Genomics / methods; Humans; Molecular Targeted Therapy / methods; Mutation; Neoplasms / drug therapy; Neoplasms / genetics; Pharmacogenetics / methods; Pharmacogenetics / standards; Phosphatidylinositol 3-Kinases / genetics; Phosphoinositide-3 Kinase Inhibitors; Treatment Outcome
Source: Web Of Science
Added: July 1, 2019
2019 review
Ion mobility spectrometry and the omics: Distinguishing isomers, molecular classes and contaminant ions in complex samples
[Review of ]. TRAC-TRENDS IN ANALYTICAL CHEMISTRY, 116, 292–299.
author keywords: Ion mobility spectrometry; Mass spectrometry; Omics; Proteomics; Lipidomics; Metabolomics; Glycomics; Exposomics
Sources: Web Of Science, ORCID
Added: July 1, 2019
2018 journal article
chemmodlab: a cheminformatics modeling laboratoryR package for fitting and assessing machine learning models
JOURNAL OF CHEMINFORMATICS, 10.
author keywords: Machine learning; QSAR; R package; Initial enhancement; Enrichment factor; Accumulation curve; Hit enrichment curve; Repeated cross-validation
Source: Web Of Science
Added: December 10, 2018
2017 journal article
Characterizing the Chemical Space of ERK2 Kinase Inhibitors Using Descriptors Computed from Molecular Dynamics Trajectories
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 57(6), 1286–1299.
MeSH headings : Ligands; Mitogen-Activated Protein Kinase 1 / antagonists & inhibitors; Mitogen-Activated Protein Kinase 1 / chemistry; Mitogen-Activated Protein Kinase 1 / metabolism; Molecular Dynamics Simulation; Protein Conformation; Protein Kinase Inhibitors / chemistry; Protein Kinase Inhibitors / metabolism; Protein Kinase Inhibitors / pharmacology; Quantitative Structure-Activity Relationship; Solvents / chemistry; Temperature
Source: Web Of Science
Added: August 6, 2018
2016 journal article
TreeScaper: Visualizing and Extracting Phylogenetic Signal from Sets of Trees
MOLECULAR BIOLOGY AND EVOLUTION, 33(12), 3314–3316.
author keywords: TreeScaper; visualization; community detection; phylogenetic trees
MeSH headings : Computer Simulation; Databases, Nucleic Acid; Evolution, Molecular; Phylogeny; Sequence Analysis, DNA / methods; Software
Source: Web Of Science
Added: August 6, 2018
