| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A Dimroth rearrangement approach for the synthesis of selenopheno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidines with cytotoxic activity on breast cancer cells
|
Kohandel, Omid
|
|
|
26 |
3 |
p. 1621-1633
|
artikel
|
| 2 |
Amphetamine-type stimulants (ATS) drug classification using shallow one-dimensional convolutional neural network
|
Mohd Yusof, Norfadzlia
|
|
|
26 |
3 |
p. 1609-1619
|
artikel
|
| 3 |
An efficient domino strategy for synthesis of 3-substituted 4-oxo-4,5-dihydro-1H-pyrrolo[3,2-c]pyridine derivatives in water
|
Yang, Xiaopeng
|
|
|
26 |
3 |
p. 1663-1674
|
artikel
|
| 4 |
Anti-Ebola: an initiative to predict Ebola virus inhibitors through machine learning
|
Rajput, Akanksha
|
|
|
26 |
3 |
p. 1635-1644
|
artikel
|
| 5 |
Application of NMI-TfCl-mediated amide bond formation in the synthesis of biologically relevant oxadiazole derivatives employing less basic (hetero)aryl amines
|
Rajendra, Merla Arjuna
|
|
|
26 |
3 |
p. 1761-1767
|
artikel
|
| 6 |
Artificial intelligence and machine learning approaches for drug design: challenges and opportunities for the pharmaceutical industries
|
Selvaraj, Chandrabose
|
|
|
26 |
3 |
p. 1893-1913
|
artikel
|
| 7 |
Building 2D classification models and 3D CoMSIA models on small-molecule inhibitors of both wild-type and T790M/L858R double-mutant EGFR
|
Huo, Donghui
|
|
|
26 |
3 |
p. 1715-1730
|
artikel
|
| 8 |
Development and validation of consensus machine learning-based models for the prediction of novel small molecules as potential anti-tubercular agents
|
Wani, Mushtaq Ahmad
|
|
|
26 |
3 |
p. 1345-1356
|
artikel
|
| 9 |
Discovery of ( ±)-3-(1H-pyrazol-1-yl)-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4] thiadiazine derivatives with promising in vitro anticoronavirus and antitumoral activity
|
Jilloju, Parameshwara Chary
|
|
|
26 |
3 |
p. 1357-1371
|
artikel
|
| 10 |
Drug repositioning for anti-tuberculosis drugs: an in silico polypharmacology approach
|
Madugula, Sita Sirisha
|
|
|
26 |
3 |
p. 1675-1695
|
artikel
|
| 11 |
EGFRisopred: a machine learning-based classification model for identifying isoform-specific inhibitors against EGFR and HER2
|
Saini, Ravi
|
|
|
26 |
3 |
p. 1531-1543
|
artikel
|
| 12 |
Evaluation of the target-specific therapeutic potential of herbal compounds for the treatment of cancer
|
Upreti, Shobha
|
|
|
26 |
3 |
p. 1823-1835
|
artikel
|
| 13 |
Exploration of chalcones and related heterocycle compounds as ligands of adenosine receptors: therapeutics development
|
Matthee, Chrisna
|
|
|
26 |
3 |
p. 1779-1821
|
artikel
|
| 14 |
Exploring targets and signaling pathways of paeonol involved in relieving inflammation based on modern technology
|
Qi, Jian-hong
|
|
|
26 |
3 |
p. 1731-1742
|
artikel
|
| 15 |
Exploring the cause of the dual allosteric targeted inhibition attaching to allosteric sites enhancing SHP2 inhibition
|
Yangchun, Ma
|
|
|
26 |
3 |
p. 1567-1580
|
artikel
|
| 16 |
Green synthesis of some 3-(α,α-diarylmethyl)indoles by bio-nanocomposite from embedding L–histidinium trichloroacetate ionic liquid on functionalized magnetite (L–His+CCl3CO2−@PEG@SiO2–nano Fe3O4)
|
Nikoofar, Kobra
|
|
|
26 |
3 |
p. 1425-1439
|
artikel
|
| 17 |
Improved machine learning scoring functions for identification of Electrophorus electricus’s acetylcholinesterase inhibitors
|
Ganeshpurkar, Ankit
|
|
|
26 |
3 |
p. 1455-1479
|
artikel
|
| 18 |
Ionic liquid as an effective green media for the synthesis of (5Z, 8Z)-7H-pyrido[2,3-d]azepine derivatives and recycable Fe3O4/TiO2/multi-wall cabon nanotubes magnetic nanocomposites as high performance organometallic nanocatalyst
|
Kohestani, Tayyebeh
|
|
|
26 |
3 |
p. 1441-1454
|
artikel
|
| 19 |
Machine learning approach to discovery of small molecules with potential inhibitory action against vasoactive metalloproteases
|
Cañizares-Carmenate, Yudith
|
|
|
26 |
3 |
p. 1383-1397
|
artikel
|
| 20 |
Machine learning models for predicting the activity of AChE and BACE1 dual inhibitors for the treatment of Alzheimer’s disease
|
Dhamodharan, G.
|
|
|
26 |
3 |
p. 1501-1517
|
artikel
|
| 21 |
New insights into the catalytic mechanism of the SARS-CoV-2 main protease: an ONIOM QM/MM approach
|
Fernandes, Henrique S.
|
|
|
26 |
3 |
p. 1373-1381
|
artikel
|
| 22 |
Novel heterocyclic 1,3,4-oxadiazole derivatives of fluoroquinolones as a potent antibacterial agent: Synthesis and computational molecular modeling
|
Allaka, Tejeswara Rao
|
|
|
26 |
3 |
p. 1581-1596
|
artikel
|
| 23 |
5-Oxo-hexahydroquinoline and 5-oxo-tetrahydrocyclopentapyridine derivatives as promising antiproliferative agents with potential apoptosis-inducing capacity
|
Ranjbar, Sara
|
|
|
26 |
3 |
p. 1481-1500
|
artikel
|
| 24 |
Prediction of antischistosomal small molecules using machine learning in the era of big data
|
Kwofie, Samuel K.
|
|
|
26 |
3 |
p. 1597-1607
|
artikel
|
| 25 |
Prospect of Anterior Gradient 2 homodimer inhibition via repurposing FDA-approved drugs using structure-based virtual screening
|
Ullah, Shafi
|
|
|
26 |
3 |
p. 1399-1409
|
artikel
|
| 26 |
Recent trends in the chemistry of Sandmeyer reaction: a review
|
Akhtar, Rabia
|
|
|
26 |
3 |
p. 1837-1873
|
artikel
|
| 27 |
Structure-based identification of galectin-1 selective modulators in dietary food polyphenols: a pharmacoinformatics approach
|
Bhowmick, Shovonlal
|
|
|
26 |
3 |
p. 1697-1714
|
artikel
|
| 28 |
Structure-based virtual screening, in silico docking, ADME properties prediction and molecular dynamics studies for the identification of potential inhibitors against SARS-CoV-2 Mpro
|
Mohan, Anbuselvam
|
|
|
26 |
3 |
p. 1645-1661
|
artikel
|
| 29 |
Sulfonated magnetic sugarcane bagasse as an efficient natural polymer-based catalyst for the synthesis of nitrogen-containing heterocyclic rings in water
|
Kazeminava, Fahimeh
|
|
|
26 |
3 |
p. 1557-1566
|
artikel
|
| 30 |
Synthesis, crystal structure, cholinesterase inhibitory activity, evaluation of insecticidal activities, and computational studies of new phosphonic acids
|
Gholivand, Khodayar
|
|
|
26 |
3 |
p. 1519-1530
|
artikel
|
| 31 |
The role of folic acid in inducing of apoptosis by zinc(II) complex in ovary and cervix cancer cells
|
Yu, Chuanrong
|
|
|
26 |
3 |
p. 1545-1555
|
artikel
|
| 32 |
The role of machine learning method in the synthesis and biological ınvestigation of heterocyclic compounds
|
Mermer, Arif
|
|
|
26 |
3 |
p. 1875-1892
|
artikel
|
| 33 |
Thiazolidine-2,4-dione-linked ciprofloxacin derivatives with broad-spectrum antibacterial, MRSA and topoisomerase inhibitory activities
|
Aziz, Hossameldin A.
|
|
|
26 |
3 |
p. 1743-1759
|
artikel
|
| 34 |
Type II c-Met inhibitors: molecular insight into crucial interactions for effective inhibition
|
Damghani, Tahereh
|
|
|
26 |
3 |
p. 1411-1423
|
artikel
|
| 35 |
Urea hydrogen peroxide-initiated synthesis of pyranopyrazoles through oxidative coupling under base- and metal-free conditions by physical grinding method
|
Verma, Pratibha
|
|
|
26 |
3 |
p. 1769-1777
|
artikel
|
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