Works (7)
Updated: July 15th, 2023 21:19
2020 journal article
Benchmarking 2D/3D/MD-QSAR Models for Imatinib Derivatives: How Far Can We Predict?
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 60(7), 3342–3360.
co-author countries:
United States of America 🇺🇸
MeSH headings : Benchmarking; Imatinib Mesylate / pharmacology; Molecular Docking Simulation; Quantitative Structure-Activity Relationship; Reproducibility of Results
Sources: Web Of Science, ORCID
Added: August 24, 2020
2020 journal article
Cheminformatics Analysis and Modeling with MacrolactoneDB
Scientific Reports, 10(1).
co-author countries:
United States of America 🇺🇸
MeSH headings : Biological Products / chemistry; Cheminformatics; Databases, Chemical; Machine Learning; Macrolides / chemistry; Models, Chemical; Quantitative Structure-Activity Relationship; Software
www.nature.com (publisher PDF)
Sources: Web Of Science, ORCID, Crossref
Added: September 7, 2020
2020 article
Cheminformatics Modeling of Closantel Analogues for Treating River Blindness
Kuenemann, M. A., Zin, P. P., Kuchibhotla, S., & Fourches, D. (2020, January 17). (Vol. 1). Vol. 1.
Source: ORCID
Added: February 20, 2022
2020 journal article
Molecule Property Analyses of Active Compounds for Mycobacterium tuberculosis
JOURNAL OF MEDICINAL CHEMISTRY, 63(17), 8917–8955.
co-author countries:
Russian Federation 🇷🇺 United States of America 🇺🇸
MeSH headings : Antitubercular Agents / chemistry; Antitubercular Agents / metabolism; Antitubercular Agents / pharmacology; Antitubercular Agents / therapeutic use; Bacterial Proteins / antagonists & inhibitors; Bacterial Proteins / metabolism; Drug Discovery; Drug Resistance, Bacterial; Humans; Mycobacterium tuberculosis / drug effects; Mycobacterium tuberculosis / metabolism; Nitroimidazoles / chemistry; Nitroimidazoles / metabolism; Nitroimidazoles / pharmacology; Nitroimidazoles / therapeutic use; Nucleoside-Phosphate Kinase / antagonists & inhibitors; Nucleoside-Phosphate Kinase / metabolism; Structure-Activity Relationship; Tuberculosis / drug therapy
Sources: Web Of Science, ORCID
Added: October 12, 2020
2020 journal article
SIME: synthetic insight-based macrolide enumerator to generate the V1B library of 1 billion macrolides
Journal of Cheminformatics, 12(1).
co-author countries:
United States of America 🇺🇸
author keywords: Macrolides; PKS enumerator; In silico chemical library software; Polyketides
Sources: Web Of Science, ORCID, Crossref
Added: April 27, 2020
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.
co-author countries:
Japan 🇯🇵 United States of America 🇺🇸
MeSH headings : Cheminformatics; Lipidomics; Lipids; Mass Spectrometry; Phenotype
Sources: Web Of Science, ORCID
Added: November 24, 2020
2018 journal article
Cheminformatics-based enumeration and analysis of large libraries of macrolide scaffolds
Journal of Cheminformatics, 10(1).
co-author countries:
United States of America 🇺🇸
Sources: Web Of Science, ORCID, Crossref
Added: December 3, 2018
Employment
Updated: January 24th, 2022 22:17
2021 - present
Simulations Plus Inc Lancaster, CA, US
Scientist I
