[{"data":1,"prerenderedAt":-1},["ShallowReactive",2],{"doc-detail-127524-en":3,"doc-seo-127524-105":31,"detail-sidebar-cat-0-en-105":92},{"code":4,"msg":5,"data":6},0,"success",{"doc_id":7,"user_id":8,"nickname":9,"user_avatar":10,"doc_module":4,"category_id":11,"category_name":12,"doc_title":13,"doc_description":14,"doc_content":15,"file_id":16,"file_url":17,"file_type":18,"file_size":19,"view_count":20,"is_deleted":4,"is_public":21,"is_downloadable":21,"audit_status":21,"page_count":22,"language":23,"language_code":24,"site_id":25,"html_lang":24,"table_of_contents":26,"faqs":27,"seo_title":28,"seo_description":14,"update_tm":29,"read_time":30},127524,13056712833777,"Logic","https://ap-avatar.wpscdn.com/davatar_29158cc5080c5b710cf443261637dec0",8,"Research & Report","Drug Target Interaction Prediction Using Machine Learning Techniques - A Review","Drug discovery relies on identifying interactions between small-molecule drugs and protein targets, where binding occurs at specific protein pockets or binding sites. Because finding new drugs is costly and time-consuming, computer-aided drug design supports faster identification by leveraging drug-target interaction (DTI) prediction. This review focuses on how machine learning (ML) techniques improve DTI prediction using classifiers, dataset strategies such as negative drug-target pairs, and dynamic approaches to strengthen predictive performance while addressing the need for better classifiers.","Drug Target Interaction Prediction Using Machine Learning Techniques – A Review  \nA. Suruliandi1, T. Idhaya1, S. P. Raja2 *  \n1 Department of Computer Science and Engineering, Manonmaniam Sundaranar University, Abhishekapatti, Tirunelveli,  \nTamilNadu (India)  \n2 School of Computer Science and Engineering, Vellore Institute of Technology, Vellore, TamilNadu (India)  \nReceived 13 August 2021 | Accepted 4 January 2022 | Early Access 10 November 2022  \nAbstract   \nDrug discovery is a key process, given the rising and ubiquitous demand for medication to stay in good shape right through the course of one’s life. Drugs are small molecules that inhibit or activate the function of a protein, offering patients a host of therapeutic benefits. Drug design is the inventive process of finding new medication, based on targets or proteins. Identifying new drugs is a process that involves time and money. This is where computer-aided drug design helps cut time and costs. Drug design needs drug targets that are a protein and a drug compound, with which the interaction between a drug and a target is established. Interaction, in this context, refers to the process of discovering protein binding sites, which are protein pockets that bind with drugs. Pockets are regions on a protein macromolecule that bind to drug molecules. Researchers have been at work trying to determine new Drug Target Interactions (DTI) that predict whether or not a given drug molecule will bind to a target. Machine learning (ML) techniques help establish the interaction between drugs and their targets, using computer-aided drug design. This paper aims to explore ML techniques better for DTI prediction and boost future research. Qualitative and quantitative analyses of ML techniques show that several have been applied to predict DTIs, employing a range of classifiers. Though DTI prediction improves with negative drug target pairs (DTP), the lack of true negative DTPs has led to the use a particular dataset of drugs and targets. Using dynamic DTPs improves DTI prediction. Little attention has so far been paid to developing a new classifier for DTI classification, and there is, unquestionably, a need for better ones.  \nKeywords  \nChemogenomics, Drug Databases, Drug Discovery, Drug Target Interactions, Machine Learning, Targets, Target Databases.  \nDOI: 10. 9781/ijimai.2022.11.002  \nI. Introduction  \nDiscovering new  \nfor medication in  \ndrugs is critical and driven by the need daily life, partly brought on by changing  \nenvironmental conditions. Nevertheless, drug discovery is not easy, it demands time as well as money, and the drug success rate is usually low. Computer-Aided Drug Design (CADD) is considered a computational discipline that aims to discover, design, and develop therapeutic chemical targets. There are 3 phases in drug design discovery, development, and registry.  \nIn the first phase, discovery, the focus is on identifying a new drug and its targets, based on binding sites. The second phase, development, involves pre-clinical research, where the drug is tested on animals for safety. Successful research means that human trials are set in motion. In the third phase, registry, the Food and Drug Administration (FDA) thoroughly reviews all the submitted drug-related data and decides on its approval or otherwise. Initiating an efficient computational model  \n* Corresponding author.  \nE-mail addresses: [suruliandi@yahoo.com](suruliandi@yahoo.com) (A. Suruliandi),  \n[idhayathomas003@gmail.com](idhayathomas003@gmail.com) (T. Idhaya), [avemariaraja@gmail.com](avemariaraja@gmail.com)  \n(S. P. Raja) .  \nthat finds potential Drug Target Interaction (DTI) from biological data helps understand the biological process, recognize novel drugs, and offer improved therapeutic medicine for illnesses of all sorts. Drug development has three trial phases, each of which is more expensive than the others. As of today, the cost of drug development has risen from US$3.4 million to US$8.6 mill","cbCainwhZTUFTXBu","https://ap.wps.com/l/cbCainwhZTUFTXBu","pdf",920478,2,1,15,"English","en",105,"# Introduction\n## Computer-aided drug design phases\n# State of the art Methods\n## Ligand-based, docking-based, and chemogenomics-based approaches","[{\"question\":\"What problem does DTI prediction address in drug discovery?\",\"answer\":\"DTI prediction helps determine whether a given drug molecule will bind to a specific protein target, enabling identification of new therapeutic candidates and binding sites.\"},{\"question\":\"Why is computer-aided drug design important in drug development?\",\"answer\":\"Drug discovery is expensive and slow with low success rates; computer-aided drug design reduces time and cost by supporting computational identification and design of drug candidates.\"},{\"question\":\"How do machine learning techniques contribute to DTI prediction?\",\"answer\":\"ML techniques learn relationships between drugs and targets using classifiers, and performance can improve when negative drug-target pairs and dynamic negative strategies are used.\"}]","Drug Target Interaction Prediction Using Machine Learning Techniques - A Review | PDF",1785939743,38,{"code":4,"msg":32,"data":33},"ok",{"site_id":25,"language":24,"slug":34,"title":13,"keywords":35,"description":14,"schema_data":36,"social_meta":87,"head_meta":89,"extra_data":91,"updated_unix":29},"drug-target-interaction-prediction-using-machine-learning-techniques-a-review","",{"@graph":37,"@context":86},[38,54,69],{"@type":39,"itemListElement":40},"BreadcrumbList",[41,45,48,51],{"item":42,"name":43,"@type":44,"position":21},"https://docshare.wps.com","Home","ListItem",{"item":46,"name":47,"@type":44,"position":20},"https://docshare.wps.com/document/","Document",{"item":49,"name":12,"@type":44,"position":50},"https://docshare.wps.com/document/research-report/",3,{"item":52,"name":13,"@type":44,"position":53},"https://docshare.wps.com/document/drug-target-interaction-prediction-using-machine-learning-techniques-a-review/127524/",4,{"url":52,"name":13,"@type":55,"author":56,"headline":13,"publisher":58,"fileFormat":61,"inLanguage":24,"description":14,"dateModified":62,"datePublished":63,"encodingFormat":61,"isAccessibleForFree":64,"interactionStatistic":65},"DigitalDocument",{"name":9,"@type":57},"Person",{"url":42,"name":59,"@type":60},"DocShare","Organization","application/pdf","2026-08-23","2026-08-05",true,{"@type":66,"interactionType":67,"userInteractionCount":20},"InteractionCounter",{"@type":68},"ViewAction",{"@type":70,"mainEntity":71},"FAQPage",[72,78,82],{"name":73,"@type":74,"acceptedAnswer":75},"What problem does DTI prediction address in drug discovery?","Question",{"text":76,"@type":77},"DTI prediction helps determine whether a given drug molecule will bind to a specific protein target, enabling identification of new therapeutic candidates and binding sites.","Answer",{"name":79,"@type":74,"acceptedAnswer":80},"Why is computer-aided drug design important in drug development?",{"text":81,"@type":77},"Drug discovery is expensive and slow with low success rates; computer-aided drug design reduces time and cost by supporting computational identification and design of drug candidates.",{"name":83,"@type":74,"acceptedAnswer":84},"How do machine learning techniques contribute to DTI prediction?",{"text":85,"@type":77},"ML techniques learn relationships between drugs and targets using classifiers, and performance can improve when negative drug-target pairs and dynamic negative strategies are used.","https://schema.org",{"og:url":52,"og:type":88,"og:title":13,"og:site_name":59,"og:description":14},"article",{"robots":90,"canonical":52},"index,follow",{"doc_id":7,"site_id":25},{"code":4,"msg":5,"data":93},[94,98,102,106,111,116,121,124,129,132,136],{"id":21,"doc_module":4,"doc_module_name":47,"category_name":95,"show_sort_weight":96,"slug":97},"Story & Novel",90,"story-novel",{"id":20,"doc_module":4,"doc_module_name":47,"category_name":99,"show_sort_weight":100,"slug":101},"Literature",80,"literature",{"id":53,"doc_module":4,"doc_module_name":47,"category_name":103,"show_sort_weight":104,"slug":105},"Exam",70,"exam",{"id":107,"doc_module":4,"doc_module_name":47,"category_name":108,"show_sort_weight":109,"slug":110},5,"Comic",60,"comic",{"id":112,"doc_module":4,"doc_module_name":47,"category_name":113,"show_sort_weight":114,"slug":115},6,"Technology",50,"technology",{"id":117,"doc_module":4,"doc_module_name":47,"category_name":118,"show_sort_weight":119,"slug":120},7,"Healthcare",40,"healthcare",{"id":11,"doc_module":4,"doc_module_name":47,"category_name":12,"show_sort_weight":122,"slug":123},30,"research-report",{"id":125,"doc_module":4,"doc_module_name":47,"category_name":126,"show_sort_weight":127,"slug":128},9,"Religion & Spirituality",20,"religion-spirituality",{"id":127,"doc_module":4,"doc_module_name":47,"category_name":130,"show_sort_weight":127,"slug":131},"World Cup","world-cup",{"id":133,"doc_module":4,"doc_module_name":47,"category_name":134,"show_sort_weight":133,"slug":135},10,"Lifestyle","lifestyle",{"id":137,"doc_module":4,"doc_module_name":47,"category_name":138,"show_sort_weight":107,"slug":139},19,"General","general"]