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2 1 Docking Triazole DFT 3]triazolo[4 5-d]pyrimidine analogues pyrimidine polarizability camptothecin (cpt) derivatives ga-mlr leave-one-out cross- validation molar refractivity molecular descriptors van der waals surface van der waals volume. applicability domain organic compounds pdms-water partition coefficient pp-lfer

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Related Articles & Bibliographies

In vitro Biological Estimation of [1,2,3]triazolo[4,5-d]pyrimidine Derivatives as Anti-breast Cancer Agent: DFT, QSAR and Docking Studies.

Copper-Catalyzed Three-Component Reaction of Alkynes, TMSN, and Ethers: Regiocontrollable Synthesis of N- and N-Oxyalkylated 1,2,3-Triazoles.

Triazole Bridged Flavonoid Dimers as Potent, Nontoxic, and Highly Selective Breast Cancer Resistance Protein (BCRP/ABCG2) Inhibitors.

Oral Selinexor-Dexamethasone for Triple-Class Refractory Multiple Myeloma.

Quantitative Structure-Activity Relationship Study of Camptothecin Derivatives as Anticancer Drugs Using Molecular Descriptors.

Prediction of polydimethylsiloxane-water partition coefficients based on the pp-LFER and QSAR models.

Polarity of Hydrated Phosphatidylcholine Headgroups.

QSAR models on H receptor antagonists associated with inflammation and anaphylaxis.

Microwave Assisted Synthesis, Characterization and Biological Activities of Ferrocenyl Chalcones and Their QSAR Analysis.

Berberine as Source of Antiproliferative Hybrid Compounds: In Vitro Antiproliferative Activity and Quantitative Structure-activity Relationship.

Confronting variability with uncertainty in the ecotoxicological impact assessment of down-the-drain products.

New 4-phenylcoumarin derivatives as potent 3C protease inhibitors: Design, synthesis, anti-HAV effect and molecular modeling.

Anti-gastric cancer activity of 1,2,3-triazolo[4,5-d]pyrimidine hybrids (1,2,3-TPH): QSAR and molecular docking approaches.

Hepatotoxicity Modeling Using Counter-Propagation Artificial Neural Networks: Handling an Imbalanced Classification Problem.

Decoding crystallography from high-resolution electron imaging and diffraction datasets with deep learning.

Tournament Based Ranking CNN for the Cataract grading.

in vitro antioxidant activity of selected 4-hydroxy-chromene-2-one derivatives—sar, qsar and dft studies

3-(2-alkylsulfanyl-6-benzothiazolylaminomethyl)-2-benzoxazolethiones - synthesis and photosynthesis-inhibiting activity in spinach chloropasts

transfer and multi-task learning in qsar modeling: advances and challenges

qsar study of the toxicity of nitrobenzenes to tetrahymena pyriformis using quantum chemical descriptors