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J

Jackson J. Alcázar

facultad de medicina clinica alemana

H指数:8

被引数:182

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Epr-c3: a deterministic constraint-aware heuristic for high-dimensional subset selection in multiple linear regression

Epr-c3：一种用于多重线性回归中高维子集选择的自确定约束感知启发式算法

International Journal of Data Science and Analytics

IF2.8

2026-09-240

PRE

Computational Identification of Potential Novel Allosteric IHF Inhibitors Using QSAR Modeling to Inhibit Plasmid-Mediated Antibiotic Resistance

利用QSAR建模计算识别潜在的 novelty 靶向抑制 IHF 抑制剂，以抑制质粒介导的抗生素耐药性

International Journal of Molecular Sciences

IF4.9

2026-03-100

OAAI

Interpretation and analysis of solvent and physico-chemical parameters of choline-amino acid deep eutectic solvents and their aqueous mixtures over the kinetic response

溶剂及物理化学参数的解釋與分析：膽鹼-氨基酸深共熔溶劑及其水溶液混合物在動態響應下的表現

Journal of Molecular Liquids

IF5.2

2025-11-040

PRE

Avibactam–Cyclodextrin Inclusion Complexes: Computational and Thermodynamic Insights for Drug Delivery, Detection, and Environmental Scavenging

Avibactam–环糊精包合物：药物递送、检测与环境清除的计算机模拟和热力学见解

Molecules 2025, Vol. 30, Page 3401

IF4.6

2025-08-200

PRE

A Simple Machine Learning-Based Quantitative Structure-Activity Relationship Model for Predicting pIC50 Inhibition Values of FLT3 Tyrosine Kinase

PHARMACEUTICALS

IF4.8

2025-01-140

OAAI

Analysis of the Behavior of Deep Eutectic Solvents upon Addition of Water: Its Effects over a Catalytic Reaction

IF4.6

2024-07-120

OAAI

Exploring the behavior of Candida antarctica lipase B in aqueous mixtures of an imidazolium ionic liquid and its surfactant analogue

FRONTIERS IN CHEMISTRY

IF4.2

2024-01-101

OAAI

Reliable and accurate prediction of basic pKa values in nitrogen compounds: the pKa shift in supramolecular systems as a case study

可靠，准确地预测氮化合物中的基本pKa值: 以超分子系统中的pKa位移为例

JOURNAL OF CHEMINFORMATICS

IF5.7

2023-09-282

OAAI

Linear relationship between emission quantum yield and Stokes shift in 3-styryl aza-coumarin based dyes in the presence of cyclodextrins

JOURNAL OF MOLECULAR LIQUIDS

IF5.2

2023-07-013

PRE

Influence of β-Cyclodextrin Methylation on Host-Guest Complex Stability: A Theoretical Study of Intra- and Intermolecular Interactions as Well as Host Dimer Formation

IF4.6

2023-03-147

OAAI

Changes in Protonation Sites of 3-Styryl Derivatives of 7-(dialkylamino)-aza-coumarin Dyes Induced by Cucurbit[7]uril

FRONTIERS IN CHEMISTRY

IF4.2

2022-04-147

OAAI

Supramolecular Control of Reactivity toward Hydrolysis of 7-Diethylaminocoumarin Schiff Bases by Cucurbit[7]uril Encapsulation

IF4.3

2021-04-0814

OAAI

Cucurbit[7]uril as a Supramolecular Catalyst in Base-Catalyzed Reactions. Experimental and Theoretical Studies on Carbonate and Thiocarbonate Hydrolysis Reactions

JOURNAL OF ORGANIC CHEMISTRY

IF3.6

2020-12-2912

PRE

Classical QSAR and Docking Simulation of 4-Pyridone Derivatives for Their Antimalarial Activity

IF4.6

2018-12-0111

OAAI