Computational Biology and Chemistry

Article	Citations
Integrated consensus genetic map and genomic scaffold re-ordering of oil palm (Elaeis guineensis) genome	162
The interaction of methotrexate with the human C5a and its potential therapeutic implications	105
Computational investigations of indanedione and indanone derivatives in drug discovery: Indanone derivatives inhibits cereblon, an E3 ubiquitin ligase component	78
Investigation of mesenchymal stem cell secretome on breast cancer gene expression: A bioinformatic approach to identify differentially expressed genes, functional networks, and potential therapeutic t	61
Construction of the small intestine on molecular dynamics simulation and preliminary exploration of drug intestinal absorption prediction	44
Editorial Board	40
Editorial Board	39
Editorial Board	37
Computational insights into irinotecan's interaction with UBE2I in ovarian and endometrial cancers	36
Implications of trinodal inhibitions and drug repurposing in MAPK pathway: A putative remedy for breast cancer	36
Multi-scale DNA language model improves 6 mA binding sites prediction	36
Identification of angiogenesis-related subtypes and risk models for predicting the prognosis of gastric cancer patients	35
Comprehensive analyses of bioinformatics applications in the fight against COVID-19 pandemic	32
Decision tree classifier based on topological characteristics of subgraph for the mining of protein complexes from large scale PPI networks	32
Classical molecular dynamics simulation identifies catechingallate as a promising antiviral polyphenol against MPOX palmitoylated surface protein	30
A novel parallel feature rank aggregation algorithm for gene selection applied to microarray data classification	30
Computational analysis of the interactions between Ebselen and derivatives with the active site of the main protease from SARS-CoV-2	30
New thiazolidine-2,4-diones as effective anti-proliferative and anti-VEGFR-2 agents: Design, synthesis, in vitro, docking, MD simulations, DFT, ADMET, and toxicity studies	28
Identification of oil palm cis-regulatory elements based on DNA free energy and single nucleotide polymorphism density	27
Molecular insights into the mechanism of sugar-modified enkephalin binding to opioid receptors	27
Editorial Board	27
Cerebral aneurysm evolution modeling from microstructural computational models to machine learning: A review	26
Identification of calcineurin as a predictor of oocyte quality and fertilization competence based on microarray data	26
SSA: Subset sum approach to protein β-sheet structure prediction	26
Amyloid β fibrils disruption by kolaviron: Molecular docking and extended molecular dynamics simulation studies	25

Netting into the Sophoretin pool: An approach to trace GSTP1 inhibitors for reversing chemoresistance	25
Computational analyses of the interactome between TNF and TNFR superfamilies	25
Exploring fingerprints for antidiabetic therapeutics related to peroxisome proliferator-activated receptor gamma (PPARγ) modulators: A chemometric modeling approach	24
Bisbenzylisoquinolines from Cissampelos pareira L. as antimalarial agents: Molecular docking, pharmacokinetics analysis, and molecular dynamic simulation studies	24
Inflammation inhibitory activity of green tea, soybean, and guava extracts during Sars-Cov-2 infection through TNF protein in cytokine storm	23
Thiazole inhibitors of α-glucosidase: Positional isomerism modulates selectivity, enzyme binding and potency of inhibition	22
Impact of calcium ions on the structural and dynamic properties of heparin oligosaccharides by computational analysis	21
Interactions between DNA and the acridine intercalator: A computational study	20
STRIDER: Steric hindrance and metal coordination identifier	20
Exploration of functional relations among differentially co-expressed genes identifies regulators in glioblastoma	19
SNSynergy: Similarity network-based machine learning framework for synergy prediction towards new cell lines and new anticancer drug combinations	19
MSFF-MA-DDI: Multi-Source Feature Fusion with Multiple Attention blocks for predicting Drug–Drug Interaction events	18
CopyMix: Mixture model based single-cell clustering and copy number profiling using variational inference	18
Integrated structure-guided computational design of novel substituted quinolizin-4-ones as Plasmodium falciparum dihydroorotate dehydrogenase (PfDHODH) inhibitors	18
A global report on the dynamics of COVID-19 with quarantine and hospitalization: A fractional order model with non-local kernel	18
Reliable estrogen-related prognostic signature for uterine corpus endometrial carcinoma	17
An ensemble of bioinformatics and machine learning approaches to identify shared breast cancer biomarkers among diverse populations	17
Comparative in Silico study of apigenin and its dimeric forms on PIM1 kinase in glioblastoma multiform	17
Vector embeddings by sequence similarity and context for improved compression, similarity search, clustering, organization, and manipulation of cDNA libraries	17
Machine learning approaches for predicting craniofacial anomalies with graph neural networks	17
Gene-expression profile analysis to disclose diagnostics and therapeutics biomarkers for thyroid carcinoma	16
Graph-ETMB: A graph neural network-based model for tumour mutation burden estimation	16
Catalytic activity in vitro of the human protein kinase ASK1 mutants: Experimental and molecular simulation study	16
RDDL: A systematic ensemble pipeline tool that streamlines balancing training schemes to reduce the effects of data imbalance in rare-disease-related deep-learning applications	16
SME-MFP: A novel spatiotemporal neural network with multiangle initialization embedding toward multifunctional peptides prediction	16
Classification and prediction of variants associated with hearing loss using sequence information in the vicinity of mutation sites	16
GAP positions catalytic H-Ras residue Q61 for GTP hydrolysis in molecular dynamics simulations, complicating chemical rescue of Ras deactivation	16
BAT-Net: An enhanced RNA Secondary Structure prediction via bidirectional GRU-based network with attention mechanism	16
Targeting AR-positive breast cancer cells via drug repurposing approach	16
P-FARFAR2: A multithreaded greedy approach to sampling low-energy RNA structures in Rosetta FARFAR2	15
FusPB-ESM2: Fusion model of ProtBERT and ESM-2 for cell-penetrating peptide prediction	15
MD-UNET: Multi-input dilated U-shape neural network for segmentation of bladder cancer	15
An assessment of crucial structural contributors of HDAC6 inhibitors through fragment-based non-linear pattern recognition and molecular dynamics simulation approaches	15
An efficient new method of ytterbium(III) triflate catalysis approach to the synthesis of substituted pyrroles: DFT, ADMET, and molecular docking investigations	15
Metaheuristics for multiple sequence alignment: A systematic review	14
Tensor improve equivariant graph neural network for molecular dynamics prediction	14
Modelling the transport mechanism of organic molecules into cell membranes: The role of organic solvents	14
Editorial Board	13
Computational analysis of substrate recognition of Sars-Cov-2 Mpro main protease	13
An assembling strategy for DNA cages with minimum strands	13
A computational study of structural analysis of Class I human glucose-6-phosphate dehydrogenase (G6PD) variants: Elaborating the correlation to chronic non-spherocytic hemolytic anemia (CNSHA)	13
Editorial	13
A comprehensive investigation regarding the clinical significance of ITGB4 in oral squamous cell carcinoma combining immunohistochemistry, RNA-seq, and microarray data	13
Transcriptome analysis reveals mechanisms of metabolic detoxification and immune responses following farnesyl acetate treatment in Metisa plana	12
UmamiPreDL: Deep learning model for umami taste prediction of peptides using BERT and CNN	12
Fractional whale driving training-based optimization enabled transfer learning for detecting autism spectrum disorder	12
A computational essential dynamics approach to investigate structural influences of ligand binding on Papain like protease from SARS-CoV-2	12
Editorial Board	12
Discovery of small-molecule PD-1/PD-L1 antagonists through combined virtual screening and experimental validation	12
Human drug-pathway association prediction based on network consistency projection	12

Identification of phytoestrogens as sirtuin inhibitor against breast cancer: Multitargeted approach	12
NeuralCodOpt: Codon optimization for the development of DNA vaccines	12
A composite ranking of risk factors for COVID-19 time-to-event data from a Turkish cohort	12
Deep protein representations enable recombinant protein expression prediction	12
The marijuana-schizophrenia multifaceted nexus: Connections and conundrums towards neurophysiology	11
Integrated deep learning model for automatic detection and classification of stenosis in coronary angiography	11
ACDMBI: A deep learning model based on community division and multi-source biological information fusion predicts essential proteins	11
Editorial Board	11
Synthesis, structural elucidation, DFT calculation, biological studies and DNA interaction of some aryl hydrazone Cr3+, Fe3+, and Cu2+ chelates	11
Deep2Pep: A Deep Learning Method in Multi-label Classification of Bioactive Peptide	11
MMR: A Multi-view Merge Representation model for Chemical-Disease relation extraction	11
A computational analysis of molecular evolution for virulence genes of zoonotic novel coronavirus (COVID-19)	11
Computational exploration of Ganoderma lucidum metabolites as potential anti-atherosclerotic agents: Insights from molecular docking and dynamics simulations	11
Machine learning and molecular subtyping reveal the impact of diverse patterns of cell death on the prognosis and treatment of hepatocellular carcinoma	11
Designing, DFT, biological, & molecular docking analysis of new Iron(III) & copper(II) complexes incorporating 1-{[-(2-Hydroxyphenyl)methylene]amino}−5,5-diphenylimidazolidine-2,4-dione (PHNS)	11
Towards development of new antimalarial compounds through in silico and in vitro assays	11
Osmotic pressure induced by extracellular matrix drives Bacillus subtilis biofilms' self-healing	10
Using a dual immunoinformatics and bioinformatics approach to design a novel and effective multi-epitope vaccine against human torovirus disease	10
Mixed model-based eQTL analysis reveals lncRNAs associated with regulation of genes involved in sex determination and spermatogenesis: The key to understanding human gender imbalance	10
Dual computational and biological assessment of some promising nucleoside analogs against the COVID-19-Omicron variant	10
Identifying potential Alzheimer's disease therapeutics through GSK-3β inhibition: A molecular docking and dynamics approach	10
Antihyperlipidemic mechanisms of a formula containing Curcuma xanthorrhiza, Sechium edule, and Syzigium polyanthum: In silico and in vitro studies	10
Comparative analysis of simple sequence repeats and synteny across ten Oryza species: Implications for stress response and genetic diversity	10
CNVABNN: An AdaBoost algorithm and neural networks-based detection of copy number variations from NGS data	10
Designing, characterization, biological, DFT, and molecular docking analysis for new FeAZD, NiAZD, and CuAZD complexes incorporating 1-(2-hydroxyphenylazo)− 2-naphthol (H2AZD)	10
Integrating multiple sequence features for identifying anticancer peptides	10
TopMarker: Computational screening biomarkers of hepatocellular carcinoma from transcriptome and interactome based on differential network topological parameters	10
Phytocompounds of Senecio candicans as potential acetylcholinesterase inhibitors targeting Alzheimer's disease: A structure-based virtual screening and molecular dynamics simulation study	10
ANNInter: A platform to explore ncRNA-ncRNA interactome of Arabidopsis thaliana	10
LPI-CSFFR: Combining serial fusion with feature reuse for predicting LncRNA-protein interactions	10
A Boolean model of the oncogene role of FAM111B in lung adenocarcinoma	9
Statistical analysis of the unique characteristics of secondary structures in proteins	9
Enhancing gene regulatory networks inference through hub-based data integration	9
Investigating Lycotoxin-An1a (An1a), a defense antiviral peptide from Alopecosa nagpag venom as prospective anti-dengue agent against DENV-2 NS2B-NS3 protease	9
Integrative bioinformatics analysis of immune activation and gene networks in pediatric septic arthritis	9
Green synthesis of selenium based N-heterocyclic carbene compounds; structural, in-vitro anticancer and molecular docking studies	9
Identification and validation of miR-21 key genes in cervical cancer through an integrated bioinformatics approach	9
Correlation intensity index-index of ideality of correlation: A hyphenated target function for furtherance of MAO-B inhibitory activity assessment	9
A structure-based approach to discover a potential isomerase Pin1 inhibitor for cancer therapy using computational simulation and biological studies	9
Exploring of antioxidant and antibacterial properties of novel 1,3,4-thiadiazole derivatives: Facile synthesis, structural elucidation and DFT approach to antioxidant characteristics	9
Phytoflavonoids as alternative therapeutic effect for melanoma: Integrative Network pharmacology, molecular dynamics and drug-likeness profiling for lead discovery	9
Unveiling novel type 1 inhibitors for targeting LIM kinase 2 (LIMK2) for cancer therapeutics: An integrative pharmacoinformatics approach	9
Exploring potential molecular targets and therapeutic efficacy of beauvericin in triple-negative breast cancer cells	9
Visualization of UV and ECD spectra of E&Z isomers of N-(4′-Hydroxy-cinnamoyl)− 5- hydroxyanthranilic acid	9
Acknowledgements to 2019 Reviewers	9
In silico profiling, docking analysis, and protein interactions of secondary metabolites in Musa spp. Against the SGE1 protein of Fusarium oxysporum f. sp. cubense	9
ActTRANS: Functional classification in active transport proteins based on transfer learning and contextual representations	9
SE-BLTCNN: A channel attention adapted deep learning model based on PSSM for membrane protein classification	9
ACP-ESM2: The prediction of anticancer peptides based on pre-trained classifier	9
The prevalence of dementia in humans could be the result of a functional adaptation	9
Mining channel-regulated peptides from animal venom by integrating sequence semantics and structural information	8
Designing of thiazolidinones against chicken pox, monkey pox, and hepatitis viruses: A computational approach	8
DeepOCR: A multi-species deep-learning framework for accurate identification of open chromatin regions in livestock	8
Novel 1,4 benzothiazine 3-one derivatives as anticonvulsant agents: Design, synthesis, biological evaluation and computational studies	8
16S amplicon sequencing and functional gene prediction of microbial community in Inner West Aegean, Turkey	8
Machine learning and molecular simulation ascertain antimicrobial peptide against Klebsiella pneumoniae from public database	8
Editorial Board	8
An open source in silico workflow to assist in the design of fusion proteins	8
High-throughput virtual screening and microsecond MD simulations to identify potential sugar mimic of the solute-binding protein BlAXBP of the ABC transporter from Bifidobacterium animalis subsp. Lact	8
Prognostic significance of a 3-gene ferroptosis-related signature in lung cancer via LASSO analysis and cellular functions of UBE2Z	8
Intrinsic relative preference profile of pan-kinase inhibitor drug staurosporine towards the clinically occurring gatekeeper mutations in Protein Tyrosine Kinases	8
Robust biomarker screening from gene expression data by stable machine learning-recursive feature elimination methods	8
Co-expression network and survival analysis of breast cancer inflammation and immune system hallmark genes	8
Screening of the effective sites of Cichorium glandulosum against hyperuricemia combined with hyperlipidemia and its network pharmacology analysis	8
Integrated in silico and experimental discovery of trimeric peptide ligands targeting Butyrylcholinesterase	8
Investigating pH-induced conformational switch in PIM-1: An integrated multi spectroscopic and MD simulation study	8
Exploring enzyme inhibition profiles of novel halogenated chalcone derivatives on some metabolic enzymes: Synthesis, characterization and molecular modeling studies	8
Transcription factors and chaperone proteins play a role in launching a faster response to heat stress and aggregation	8
Exploring casual effects and shared molecular mechanism between psoriasis and liver cancer through Mendelian randomization and comprehensive bioinformatic analyses	8
Multiscale modeling of the cellular uptake of C6 peptide-siRNA complexes	7
Multiple omics-based machine learning reveals specific macrophage sub-clusters in renal ischemia-reperfusion injury and constructs predictive models for transplant outcomes	7
Investigation of dual inhibition of antibacterial and antiarthritic drug candidates using combined approach including molecular dynamics, docking and quantum chemical methods	7
Theoretical Investigations of a point mutation affecting H5 Hemagglutinin’s receptor binding preference	7
ARGai 1.0: A GAN augmented in silico approach for identifying resistant genes and strains in E. coli using vision transformer	7
Ensembling machine learning models to boost molecular affinity prediction	7
The method predicting interaction between protein targets and small-molecular ligands with the wide applicability domain	7
In silico exploration of CB2 receptor agonist in the management of neuroinflammatory conditions by pharmacophore modeling	7
IoT based healthcare system using fractional dung beetle optimization enabled deep learning for breast cancer classification	7
Reconstruction of the binding pathway of an anti-HIV drug, Indinavir, in complex with the HTLV-1 protease using unaggregated unbiased molecular dynamics simulation	7
Integrated computational approaches for designing potent pyrimidine-based CDK9 inhibitors: 3D-QSAR, docking, and molecular dynamics simulations	7

Halting aberrant DNA methylation via in silico Identification of potent inhibitors of DNMT3B enzyme: Atomistic insights	7
A deep-SIQRV epidemic model for COVID-19 to access the impact of prevention and control measures	7
Pharmacoinformatics-based prediction of Checkpoint kinase-1 inhibitors from Momordica charantia Linn. for cancer	7
Cellular and molecular level host-pathogen interactions in Francisella tularensis: A microbial gene network study	7
Molecular dynamic simulation analysis of SARS-CoV-2 spike mutations and evaluation of ACE2 from pets and wild animals for infection risk	7
Cancer detection with various classification models: A comprehensive feature analysis using HMM to extract a nucleotide pattern	7
Identification of potential therapeutic targets for stroke using data mining, network analysis, enrichment, and docking analysis	7
Harnessing the druggability at orthosteric and allosteric sites of PD-1 for small molecule discovery by an integrated in silico pipeline	7
Acknowledgements to 2020 Reviewers	7
Design, synthesis, In-vitro, In-silico and DFT studies of novel functionalized isoxazoles as antibacterial and antioxidant agents	7
K1K2NN: A novel multi-label classification approach based on neighbors for predicting COVID-19 drug side effects	7
Virtual screening of polyherbal compounds for AKT1 and HSPB1 inhibition in breast cancer apoptosis pathway	7
Real-to-bin conversion for protein residue distances	7
Glycosylation is key for enhancing drug recognition into spike glycoprotein of SARS-CoV-2	6
Encoding the space of protein-protein binding interfaces by artificial intelligence	6
PayloadGenX, a multi-stage hybrid virtual screening approach for payload design: A microtubule inhibitor case study	6
GEHGAN: CircRNA–disease association prediction via graph embedding an	6
A small-scale data driven and graph neural network based toxicity prediction method of compounds	6
Non-homogeneous Poisson and renewal processes as spatial models for cancer mutation	6
In silico identification of candidate miRNA-encoded Peptides in four Fabaceae species	6
TSSUNet-MB – ab initio identification of σ70 promoter transcription start sites in Escherichia coli using deep multitask learning	6
Cytokine expression patterns: A single-cell RNA sequencing and machine learning based roadmap for cancer classification	6
A novel intelligent framework for assessing within-host transmission dynamics of Chikungunya virus using an unsupervised stochastic neural network approach	6
Lycopene destabilizes preformed Aβ fibrils: Mechanistic insights from all-atom molecular dynamics simulation	6
CTDN (Convolutional Temporal Based Deep‐ Neural Network): An Improvised Stacked Hybrid Computational Approach for Anticancer Drug Response Prediction	6
Integrating classic AI and agriculture: A novel model for predicting insecticide-likeness to enhance efficiency in insecticide development	6
Transfer learning with molecular graph convolutional networks for accurate modeling and representation of bioactivities of ligands targeting GPCRs without sufficient data	6
An efficient Burrows–Wheeler transform-based aligner for short read mapping	6
Exploring the value of pleural fluid biomarkers for complementary pleural effusion disease examination	6
Where is the mind within the brain? Transient selection of subnetworks by metabotropic receptors and G protein-gated ion channels	6
Exploring the interaction of phytochemicals from Hibiscus rosa-sinensis flowers with glucosidase and acetylcholinesterase: An integrated in vitro and in silico approach	6
Planning biosynthetic pathways of target molecules based on metabolic reaction prediction and AND-OR tree search	6
AMPCDA: Prediction of circRNA–disease associations by utilizing attention mechanisms on metapaths	6
Uncovering the antidiabetic potential of heart-friendly and diuretic bioactive compounds through computer-based drug design	6
Effects of 1,4-dihydropyridine derivatives on cell injury and mTOR of HepG2 and 3D-QSAR study	6
Non-kin selection enhances complexity in cooperation: A unified quantitative law	6
A novel prognostic risk score model based on RNA editing level in lower-grade glioma	6
Advancing Drug-Target Interaction prediction with BERT and subsequence embedding	6
Comments on 'Flexibility of enzymatic transitions as a hallmark of optimized enzyme steady-state kinetics and thermodynamics'	6
Editorial Board	5
Comparative molecular dynamics analyses on PIK3CA hotspot mutations with PI3Kα specific inhibitors and ATP	5
Design and In-silico study of bioimaging fluorescence Graphene quantum dot-Bovine serum albumin complex synthesized by diimide-activated amidation	5
Ligand binding free energy evaluation by Monte Carlo Recursion	5
N-glycosylation reinforces interaction of immune checkpoint TIM-3 with a small molecule ligand	5
Terpenoid phytocompounds from mangrove plant Xylocarpus moluccensis as possible inhibitors against SARS-CoV-2: In silico strategy	5
Editorial Board	5
Protein function prediction using functional inter-relationship	5
Prediction of Crohn's disease based on deep feature recognition	5
Acknowledgements to 2022 Reviewers	5
Exploiting reverse vaccinology approach for the design of a multiepitope subunit vaccine against the major SARS-CoV-2 variants	5
Methodological approach to identify immunogenic epitopes candidates for vaccines against emerging pathogens tailored to defined HLA populations	5
Deep_CNN_LSTM_GO: Protein function prediction from amino-acid sequences	5
Editorial Board	5
Efficient assembly consensus algorithms for divergent contig sets	5
Differentiating stable and unstable protein using convolution neural network and molecular dynamics simulations	5
Computational study and design of effective siRNAs to silence structural proteins associated genes of Indian SARS-CoV-2 strains	5
ETENLNC: An end to end lncRNA identification and analysis framework to facilitate construction of known and novel lncRNA regulatory networks	5
N-heterocyclic carbene based Bi-nuclear organoselenium compounds impart a mild biocidal potential compared to their ligands: Synthesis, characterization, computational studies	5
Vaginal birth after cesarean section prediction model for Jordanian population	5
Predicting associations between drugs and G protein-coupled receptors using a multi-graph convolutional network	5
E-pharmacophore based virtual screening of potent lead molecules against Cystic Fibrosis: An in silico study	5
QSAR-based virtual screening of traditional Chinese medicine for the identification of mitotic kinesin Eg5 inhibitors	5
A top-down approach for studying the in-silico effect of the novel phytocompound tribulusamide B on the inhibition of Nipah virus transmission through targeting fusion glycoprotein and matrix protein	5
Towards key genes identification for breast cancer survival risk with neural network models	5
Design and various in silico studies of the novel curcumin derivatives as potential candidates against COVID-19 -associated main enzymes	5
Targeting cyclin-dependent kinase 2 CDK2: Insights from molecular docking and dynamics simulation – A systematic computational approach to discover novel cancer therapeutics	5
Halogenated class of oximes as a new class of monoamine oxidase-B inhibitors for the treatment of Parkinson’s disease: Synthesis, biochemistry, and molecular dynamics study	5
DeepRHD: An efficient hybrid feature extraction technique for protein remote homology detection using deep learning strategies	5
Profiling the structural determinants of pyrrolidine derivative as gelatinases (MMP-2 and MMP-9) inhibitors using in silico approaches	5
Design and characterization of defined alpha-helix mini-proteins with intrinsic cell permeability	5
OTUCD: Unsupervised GCN based metagenomics non-overlapping community detection	5
A method to improve the prediction performance of cancer-gene association by screening negative training samples through gene network data	5
Predicting the evolution of number of native contacts of a small protein by using deep learning approach	5
Dynamics of infectious disease mathematical model through unsupervised stochastic neural network paradigm	5
Assessment of the hypoglycemic and anti-hemostasis effects of Paederia foetida (L.) in controlling diabetes and thrombophilia combining in vivo and computational analysis	5
FPDock: Protein–protein docking using flower pollination algorithm	5
Design of BBB permeable BACE-1 inhibitor as potential drug candidate for Alzheimer disease: 2D-QSAR, molecular docking, ADMET, molecular dynamics, MMGBSA	5
EBOLApred: A machine learning-based web application for predicting cell entry inhibitors of the Ebola virus	4
OSADHI – An online structural and analytics based database for herbs of India	4
A knowledge-transfer-based approach for combining ordinal regression and medical scoring system in the early prediction of sepsis with electronic health records	4
Probing the effects of single point mutations in the GKWWRPS motif on the PNAIG motif within Loop 2 of sclerostin (SOST) using in-silico techniques	4
Chemico-biological interaction unraveled the potential mechanistic pathway of Ixeridium dentatum compounds against atopic dermatitis	4
The LCNetWork: An electronic representation of the mRNA-lncRNA-miRNA regulatory network underlying mechanisms of non-small cell lung cancer in humans, and its explorative analysis	4
Substituent effect on the chemical and biological properties of diisatin dihydrazone Schiff bases: DFT and docking studies	4
Computational prediction for designing novel ketonic derivatives as potential inhibitors for breast cancer: A trade-off between drug likeness and inhibition potency	4
Using statistical analysis to explore the influencing factors of data imbalance for machine learning identification methods of human transcriptome m6A modification sites	4
GRNMOPT: Inference of gene regulatory networks based on a multi-objective optimization approach	4
Dynamical robustness of a Boolean model for the human gonadal sex determination	4
iR5hmcSC: Identifying RNA 5-hydroxymethylcytosine with multiple features based on stacking learning	4
Synthesis, biological evaluation, and molecular modelling of novel quinoxaline-isoxazole hybrid as anti-hyperglycemic	4
Hybrid optimization enabled DenseNet for autism spectrum disorders using MRI image	4
Discovering inhibitors of TEAD palmitate binding pocket through virtual screening and molecular dynamics simulation	4
Identifying key genes against rutin on human colorectal cancer cells via ROS pathway by integrated bioinformatic analysis and experimental validation	4
PreTKcat: A pre-trained representation learning and machine learning framework for predicting enzyme turnover number	4
The prediction of RNA-small-molecule ligand binding affinity based on geometric deep learning	4