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.

By: P. Zin n , A. Borrel n & D. Fourches n

co-author countries: United States of America πŸ‡ΊπŸ‡Έ
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).

By: P. Zin n , G. Williams n  & S. Ekins  n

co-author countries: United States of America πŸ‡ΊπŸ‡Έ
MeSH headings : Biological Products / chemistry; Cheminformatics; Databases, Chemical; Machine Learning; Macrolides / chemistry; Models, Chemical; Quantitative Structure-Activity Relationship; Software
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.

By: M. Kuenemann, P. Zin* , S. Kuchibhotla & D. Fourches

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.

By: V. Makarov *, E. Salina *, R. Reynolds*, P. Zin n  & S. Ekins *

co-author countries: Russian Federation πŸ‡·πŸ‡Ί United States of America πŸ‡ΊπŸ‡Έ
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).

By: P. Zin n , G. Williams n  & D. Fourches n

co-author countries: United States of America πŸ‡ΊπŸ‡Έ
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.

By: M. Odenkirk n, P. Zin n , J. Ash n, D. Reif n , D. Fourches n & E. Baker n 

co-author countries: Japan πŸ‡―πŸ‡΅ United States of America πŸ‡ΊπŸ‡Έ
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).

By: P. Zin n , G. Williams n  & D. Fourches n

co-author countries: United States of America πŸ‡ΊπŸ‡Έ
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
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