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), 3342β3360.
2020 journal article
Cheminformatics Analysis and Modeling with MacrolactoneDB
Scientific Reports, 10(1).
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.
2020 journal article
Molecule Property Analyses of Active Compounds for Mycobacterium tuberculosis
JOURNAL OF MEDICINAL CHEMISTRY, 63(17), 8917β8955.
2020 journal article
SIME: synthetic insight-based macrolide enumerator to generate the V1B library of 1 billion macrolides
Journal of Cheminformatics, 12(1).
2020 journal article
Structural-based connectivity and omic phenotype evaluations (SCOPE): a cheminformatics toolbox for investigating lipidomic changes in complex systems
ANALYST, 145(22), 7197β7209.
2018 journal article
Cheminformatics-based enumeration and analysis of large libraries of macrolide scaffolds
Journal of Cheminformatics, 10(1).
Updated: January 24th, 2022 22:17
2021 - present