Keyword Connections

qsar

Journals

18

1 Organic letters

2 European journal of medicinal chemistry

3 Heliyon

4 current pharmaceutical biotechnology

5 Molecules (Basel, Switzerland)

6 Environment international

7 Ecotoxicology and environmental safety

8 Journal of medicinal chemistry

9 ACS omega

10 Langmuir : the ACS journal of surfaces and colloids

11 Frontiers in chemistry

12 conference proceedings : annual international conference of the ieee engineering in medicine and biology society ieee engineering in medicine and biology society annual conference

13 Science advances

14 combinatorial chemistry & high throughput screening

15 anti-cancer agents in medicinal chemistry

16 The New England journal of medicine

17 Journal of biomolecular structure & dynamics

18 sar and qsar in environmental research

Research Groups

0

No Research Group Connected

Bibliographies

61

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

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

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

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

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

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

7 Polarity of Hydrated Phosphatidylcholine Headgroups.

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

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

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

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

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

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

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

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

16 Tournament Based Ranking CNN for the Cataract grading.

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

18 3-(2-alkylsulfanyl-6-benzothiazolylaminomethyl)-2-benzoxazolethiones - synthesis and photosynthesis-inhibiting activity in spinach chloropasts

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

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

21 vnn web server for admet predictions

22 a quantitative structure–activity relationship study of tetrabutylphosphonium bromide analogs as muscarinic acetylcholine receptors agonists

23 estudos de relações estrutura-atividade quantitativas (qsar) de bis-benzamidinas com atividade antifúngica quantitative structure-activity relationships (qsar) studies of bisbenzamidines with antifungal activity

24 Estimation of cytotoxicity to HEP-G2 cells of 255 environmental pollutants and water using QSAR (Quantitative Structure-Activity Relationship).

25 C-QSAR: a database of 18,000 QSARs and associated biological and physical data.

26 Methodology of aiQSAR: a group-specific approach to QSAR modelling.

27 Synthesis, pharmacological evaluation and QSAR study of 6- [3-(4-substituted phenylpiperazin-1-yl)propoxy]benzo[d][1,3] oxathiol-2-ones as potential antipsychotics

28 Inhibition activity prediction for a dataset of candidates' drug by combining fuzzy logic with MLR/ANN QSAR models.

29 Spectroscopic, chemical reactivity, molecular docking investigation and QSAR analyses of (2E)‑1‑(3‑bromo‑2‑thienyl)‑3‑(2,5‑dimethoxyphenyl)prop‑2‑en‑1‑one

30 4D-QSAR and MIA-QSAR study on the Bruton's tyrosine kinase (Btk) inhibitors.

31 Rivality index neighbourhood algorithm with density and distances weighted schemes for the building of robust QSAR classification models with high reliable applicability domain.

32 A model of atomic compressibility and its application in QSAR domain for toxicological property prediction.

33 Quantitative structure–activity relationship (QSAR) study of some DNA-intercalating anticancer drugs

34 Combined QSAR model and chemical similarity search for novel HMG-CoA reductase inhibitors for coronary heart disease.

35 Modifying tetramethyl–nitrophenyl–imidazoline with amino acids: design, synthesis, and 3D-QSAR for improving inflammatory pain therapy

36 QSAR and complex networks in pharmaceutical design, microbiology, parasitology, toxicology, cancer and neurosciences

37 3D QSAR Modeling and Molecular Docking Studies on a Series of Triazole Analogues as Antibacterial Agents

38 Alignment independent 3D-QSAR studies and molecular dynamics simulations for the identification of potent and selective S1P receptor agonists.

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

40 Molecular Docking and Quantitative Structure Activity Relationship (QSAR) Studies of Some Newly Synthesized Poly (Azomethine) Esters

41 <b>Synthesis, screening and QSAR studies of 3-benzoyl-2-oxo/thioxo-1,2,3,4-tetrahydro-pyrimidine analogues as antibacterial agents</b>

42 LEGO-based generalized set of two linear algebraic 3D bio-macro-molecular descriptors: Theory and validation by QSARs.

43 Rate constants of hydroxyl radicals reaction with different dissociation species of fluoroquinolones and sulfonamides: Combined experimental and QSAR studies

44 Structural basis of pyrazolopyrimidine derivatives as CAMKIIδ kinase inhibitors: insights from 3D QSAR, docking studies and in silico ADMET evaluation

45 LEGO-based generalized set of two linear algebraic 3D bio-macro-molecular descriptors: Theory and validation by QSARs.

46 Application of QSARs in identification of mutagenicity mechanisms of nitro and amino aromatic compounds against Salmonella typhimurium species

47 Green synthesis, antibacterial evaluation and QSAR analysis of some isatin Schiff bases

48 DESIGN OF LOW CYTOTOXICITY DIARYLANILINE DERIVATIVES BASED ON QSAR RESULTS: AN APPLICATION OF ARTIFICIAL NEURAL NETWORK MODELLING

49 QSAR/QSPR models based on quantum chemistry for risk assessment of pesticides according to current European legislation

50 probing the origins of human acetylcholinesterase inhibition via qsar modeling and molecular docking

51 qsar study for anti-hiv-1 activities of hept derivatives using mlr and pls

52 qsar-assisted virtual screening of lead-like molecules from marine and microbial natural sources for antitumor and antibiotic drug discovery

53 qsar and qspr study of derivatives 4-arylaminocoumarin

54 a qsar approach for virtual screening of lead-like molecules en route to antitumor and antibiotic drugs from marine and microbial natural products

55 synthesis, antimicrobial, anticancer evaluation and qsar studies of n′-substituted benzylidene/2-hydroxynaphthalen-1-ylmethylene/3-phenylallylidene/5-oxopentylidene -4-(2-oxo-2-(4h-1,2,4-triazol-4-yl) methylamino)benzohydrazides

56 alignment independent 3d-qsar, quantum calculations and molecular docking of mer specific tyrosine kinase inhibitors as anticancer drugs

57 synthesis, biological activities, and quantitative structure–activity relationship (qsar) study of novel camptothecin analogues

58 linear regression qsar models for polo-like kinase-1 inhibitors

59 docking and 3d qsar studies on p38α map kinase inhibitors

60 development of dual inhibitors against alzheimer’s disease using fragment-based qsar and molecular docking

61 Synthesis, characterization, antibacterial evaluation, 2D-QSAR modeling and molecular docking studies for benzocaine derivatives.