{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,8]],"date-time":"2026-09-08T00:33:05Z","timestamp":1788827585298,"version":"build-2803163510"},"reference-count":63,"publisher":"Royal Society of Chemistry (RSC)","issue":"2","license":[{"start":{"date-parts":[[2025,1,10]],"date-time":"2025-01-10T00:00:00Z","timestamp":1736467200000},"content-version":"vor","delay-in-days":9,"URL":"http:\/\/creativecommons.org\/licenses\/by\/3.0\/"}],"content-domain":{"domain":["rsc.org"],"crossmark-restriction":true},"short-container-title":["RSC Adv."],"abstract":"<jats:p>Identified novel PDGFR inhibitor targeting non-small cell lung cancer using machine learning from vast library of 1.04 million compounds.<\/jats:p>","DOI":"10.1039\/d4ra06975g","type":"journal-article","created":{"date-parts":[[2025,1,10]],"date-time":"2025-01-10T04:32:55Z","timestamp":1736483575000},"page":"851-869","update-policy":"https:\/\/doi.org\/10.1039\/rsc_crossmark_policy","source":"Crossref","is-referenced-by-count":9,"title":["Discovery of novel PDGFR inhibitors targeting non-small cell lung cancer using a multistep machine learning assisted hybrid virtual screening approach"],"prefix":"10.1039","volume":"15","author":[{"ORCID":"https:\/\/orcid.org\/0009-0009-3462-6515","authenticated-orcid":false,"given":"Sandhi","family":"Kranthi Reddy","sequence":"first","affiliation":[{"name":"Department of CSE, GST, GITAM (Deemed to be University), Visakhapatnam, A.P, India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-8717-0656","authenticated-orcid":false,"given":"S. V. G.","family":"Reddy","sequence":"additional","affiliation":[{"name":"Department of CSE, GST, GITAM (Deemed to be University), Visakhapatnam, A.P, India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-7340-903X","authenticated-orcid":false,"given":"Syed","family":"Hussain Basha","sequence":"additional","affiliation":[{"name":"Innovative Informatica Technologies, Hyderabad, Telangana, India"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"292","published-online":{"date-parts":[[2025]]},"reference":[{"key":"D4RA06975G\/cit1\/1","doi-asserted-by":"crossref","first-page":"iv192","DOI":"10.1093\/annonc\/mdy275","volume":"29","author":"Planchard","year":"2018","journal-title":"Ann. Oncol."},{"issue":"4","key":"D4RA06975G\/cit2\/1","doi-asserted-by":"crossref","first-page":"e165","DOI":"10.1016\/S1470-2045(14)71180-5","volume":"16","author":"Oser","year":"2015","journal-title":"Lancet Oncol."},{"issue":"2","key":"D4RA06975G\/cit3\/1","doi-asserted-by":"crossref","first-page":"244","DOI":"10.1097\/JTO.0b013e318206a221","volume":"6","author":"Travis","year":"2011","journal-title":"J. Thorac. Oncol."},{"issue":"4","key":"D4RA06975G\/cit4\/1","first-page":"327","volume":"4","author":"Islami","year":"2015","journal-title":"Transl. Lung Cancer Res."},{"issue":"12","key":"D4RA06975G\/cit5\/1","doi-asserted-by":"crossref","first-page":"1391","DOI":"10.1097\/JTO.0b013e31818ddff7","volume":"3","author":"Raz","year":"2008","journal-title":"J. Thorac. Oncol."},{"issue":"6","key":"D4RA06975G\/cit6\/1","doi-asserted-by":"crossref","first-page":"1518","DOI":"10.1002\/cncr.24871","volume":"116","author":"Wang","year":"2010","journal-title":"Cancer"},{"issue":"4","key":"D4RA06975G\/cit7\/1","doi-asserted-by":"crossref","first-page":"1131","DOI":"10.1002\/cncr.10257","volume":"94","author":"Nguyen","year":"2002","journal-title":"Cancer"},{"issue":"11","key":"D4RA06975G\/cit8\/1","doi-asserted-by":"crossref","first-page":"1229","DOI":"10.1080\/14737140.2021.1982387","volume":"21","author":"Gabay","year":"2021","journal-title":"Expert Rev. Anticancer Ther."},{"key":"D4RA06975G\/cit9\/1","doi-asserted-by":"crossref","first-page":"1230475","DOI":"10.3389\/fonc.2023.1230475","volume":"13","author":"Parakh","year":"2023","journal-title":"Front. Oncol."},{"issue":"5","key":"D4RA06975G\/cit10\/1","doi-asserted-by":"crossref","first-page":"257","DOI":"10.1002\/cbf.3120","volume":"33","author":"Farooqi","year":"2015","journal-title":"Cell Biochem. Funct."},{"issue":"1\u20132","key":"D4RA06975G\/cit11\/1","doi-asserted-by":"crossref","first-page":"75","DOI":"10.1016\/j.drup.2005.03.004","volume":"8","author":"Board","year":"2005","journal-title":"Drug Resistance Updates"},{"issue":"1","key":"D4RA06975G\/cit12\/1","doi-asserted-by":"crossref","first-page":"122","DOI":"10.1016\/j.bbcan.2010.04.003","volume":"1806","author":"Wang","year":"2010","journal-title":"Biochim. Biophys. Acta, Rev. Cancer"},{"issue":"7","key":"D4RA06975G\/cit13\/1","doi-asserted-by":"crossref","first-page":"1855","DOI":"10.1158\/1078-0432.CCR-11-0699","volume":"18","author":"Brooks","year":"2012","journal-title":"Clin. Cancer Res."},{"key":"D4RA06975G\/cit14\/1","doi-asserted-by":"crossref","first-page":"88","DOI":"10.1016\/j.toxlet.2018.05.033","volume":"295","author":"Yang","year":"2018","journal-title":"Toxicol. Lett."},{"issue":"1","key":"D4RA06975G\/cit15\/1","doi-asserted-by":"crossref","first-page":"97","DOI":"10.1016\/j.canlet.2013.07.007","volume":"340","author":"Okamoto","year":"2013","journal-title":"Cancer Lett."},{"issue":"12","key":"D4RA06975G\/cit16\/1","first-page":"5171","volume":"29","author":"Minniti","year":"2009","journal-title":"Anticancer Res."},{"issue":"3","key":"D4RA06975G\/cit17\/1","doi-asserted-by":"crossref","first-page":"175","DOI":"10.1111\/j.1600-0625.2006.00400.x","volume":"15","author":"Gille","year":"2006","journal-title":"Exp. Dermatol."},{"key":"D4RA06975G\/cit18\/1","doi-asserted-by":"crossref","first-page":"672500","DOI":"10.3389\/fonc.2021.672500","volume":"11","author":"Bauer","year":"2021","journal-title":"Front. Oncol."},{"issue":"4","key":"D4RA06975G\/cit19\/1","doi-asserted-by":"crossref","first-page":"433","DOI":"10.1007\/s40265-020-01275-2","volume":"80","author":"Dhillon","year":"2020","journal-title":"Drugs"},{"issue":"2","key":"D4RA06975G\/cit20\/1","doi-asserted-by":"crossref","first-page":"100040","DOI":"10.1016\/j.esmoop.2020.100040","volume":"6","author":"Danesi","year":"2021","journal-title":"ESMO Open"},{"key":"D4RA06975G\/cit21\/1","doi-asserted-by":"crossref","first-page":"2433","DOI":"10.2147\/OTT.S241331","author":"Liu","year":"2020","journal-title":"OncoTargets Ther."},{"issue":"1","key":"D4RA06975G\/cit22\/1","doi-asserted-by":"crossref","first-page":"108","DOI":"10.1158\/2159-8290.CD-20-0487","volume":"11","author":"Grunewald","year":"2021","journal-title":"Cancer Discovery"},{"issue":"4","key":"D4RA06975G\/cit23\/1","doi-asserted-by":"crossref","first-page":"e639","DOI":"10.1002\/onco.13674","volume":"26","author":"George","year":"2021","journal-title":"Oncologist"},{"issue":"11","key":"D4RA06975G\/cit25\/1","doi-asserted-by":"crossref","first-page":"1680","DOI":"10.1016\/j.drudis.2017.08.010","volume":"22","author":"Zhang","year":"2017","journal-title":"Drug discovery today"},{"key":"D4RA06975G\/cit26\/1","doi-asserted-by":"crossref","first-page":"58","DOI":"10.1016\/j.ymeth.2014.08.005","volume":"71","author":"Cereto-Massagu\u00e9","year":"2015","journal-title":"Methods"},{"key":"D4RA06975G\/cit27\/1","year":"2013","unstructured":"Schrodinger Release 2013-2: Maestro ,  2013"},{"key":"D4RA06975G\/cit28\/1","year":"2019","unstructured":"Dassault Systemes BIOVIA ,  2019"},{"issue":"suppl_1","key":"D4RA06975G\/cit29\/1","doi-asserted-by":"crossref","first-page":"D668","DOI":"10.1093\/nar\/gkj067","volume":"34","author":"Wishart","year":"2006","journal-title":"Nucleic Acids Res."},{"issue":"1","key":"D4RA06975G\/cit30\/1","doi-asserted-by":"crossref","first-page":"177","DOI":"10.1021\/ci049714+","volume":"45","author":"Irwin","year":"2005","journal-title":"J. Chem. Inf. Model."},{"issue":"4","key":"D4RA06975G\/cit31\/1","doi-asserted-by":"crossref","first-page":"667","DOI":"10.1016\/j.bbrc.2016.06.117","volume":"477","author":"Liang","year":"2016","journal-title":"Biochem. Biophys. Res. Commun."},{"issue":"6","key":"D4RA06975G\/cit32\/1","doi-asserted-by":"crossref","first-page":"1078","DOI":"10.1107\/S0907444998009378","volume":"54","author":"Sussman","year":"1998","journal-title":"Acta Crystallogr., Sect. D:Biol. Crystallogr."},{"issue":"2","key":"D4RA06975G\/cit33\/1","doi-asserted-by":"crossref","first-page":"287","DOI":"10.1021\/acs.jcim.7b00650","volume":"58","author":"Jim\u00e9nez","year":"2018","journal-title":"J. Chem. Inf. Model."},{"issue":"12","key":"D4RA06975G\/cit34\/1","doi-asserted-by":"crossref","first-page":"2977","DOI":"10.1021\/jm030580l","volume":"47","author":"Wang","year":"2004","journal-title":"J. Med. Chem."},{"issue":"7","key":"D4RA06975G\/cit35\/1","doi-asserted-by":"crossref","first-page":"1237","DOI":"10.1093\/bioinformatics\/bty758","volume":"35","author":"Skalic","year":"2019","journal-title":"Bioinformatics"},{"issue":"2","key":"D4RA06975G\/cit36\/1","doi-asserted-by":"crossref","first-page":"623","DOI":"10.1021\/jm2005145","volume":"55","author":"Forli","year":"2012","journal-title":"J. Med. Chem."},{"issue":"7","key":"D4RA06975G\/cit37\/1","doi-asserted-by":"crossref","first-page":"1793","DOI":"10.1021\/acs.jpclett.0c03119","volume":"12","author":"Gangadevi","year":"2021","journal-title":"J. Phys. Chem. Lett."},{"issue":"3","key":"D4RA06975G\/cit38\/1","doi-asserted-by":"crossref","first-page":"1087","DOI":"10.1039\/D1NJ02453A","volume":"46","author":"Gangireddy","year":"2022","journal-title":"New J. Chem."},{"key":"D4RA06975G\/cit39\/1","year":"2020","unstructured":"Desmond Molecular Dynamics System, D. E. Shaw Research ,  2020"},{"issue":"12","key":"D4RA06975G\/cit40\/1","doi-asserted-by":"crossref","first-page":"2695","DOI":"10.1080\/07391102.2015.1004834","volume":"33","author":"Reddy","year":"2015","journal-title":"J. Biomol. Struct. Dyn."},{"issue":"1","key":"D4RA06975G\/cit41\/1","doi-asserted-by":"crossref","first-page":"484","DOI":"10.1080\/07391102.2020.1815579","volume":"40","author":"Hassan","year":"2022","journal-title":"J. Biomol. Struct. Dyn."},{"issue":"16","key":"D4RA06975G\/cit42\/1","doi-asserted-by":"crossref","first-page":"7469","DOI":"10.1080\/07391102.2021.1898471","volume":"40","author":"Yadav","year":"2022","journal-title":"J. Biomol. Struct. Dyn."},{"issue":"11","key":"D4RA06975G\/cit43\/1","doi-asserted-by":"crossref","first-page":"5016","DOI":"10.1080\/07391102.2020.1865203","volume":"40","author":"Yadav","year":"2022","journal-title":"J. Biomol. Struct. Dyn."},{"issue":"21","key":"D4RA06975G\/cit44\/1","doi-asserted-by":"crossref","first-page":"10899","DOI":"10.1080\/07391102.2021.1951356","volume":"40","author":"Yadav","year":"2022","journal-title":"J. Biomol. Struct. Dyn."},{"key":"D4RA06975G\/cit45\/1","first-page":"1","author":"Yadav","year":"2023","journal-title":"J. Biomol. Struct. Dyn."},{"issue":"8","key":"D4RA06975G\/cit46\/1","doi-asserted-by":"crossref","first-page":"2553","DOI":"10.1021\/ct300203w","volume":"8","author":"Shivakumar","year":"2012","journal-title":"J. Chem. Theory Comput."},{"issue":"43","key":"D4RA06975G\/cit47\/1","doi-asserted-by":"crossref","first-page":"9954","DOI":"10.1021\/jp003020w","volume":"105","author":"Mark","year":"2001","journal-title":"J. Phys. Chem. A"},{"issue":"19","key":"D4RA06975G\/cit48\/1","doi-asserted-by":"crossref","first-page":"8577","DOI":"10.1063\/1.470117","volume":"103","author":"Essmann","year":"1995","journal-title":"J. Chem. Phys."},{"issue":"3","key":"D4RA06975G\/cit49\/1","doi-asserted-by":"crossref","first-page":"1990","DOI":"10.1063\/1.463137","volume":"97","author":"Tuckerman","year":"1992","journal-title":"J. Chem. Phys."},{"issue":"1","key":"D4RA06975G\/cit50\/1","doi-asserted-by":"crossref","first-page":"41","DOI":"10.1080\/00268977200100031","volume":"23","author":"McDonald","year":"1972","journal-title":"Mol. Phys."},{"key":"D4RA06975G\/cit51\/1","doi-asserted-by":"crossref","first-page":"16","DOI":"10.1063\/1.4825247","volume":"139","author":"Lippert","year":"2013","journal-title":"J. Chem. Phys."},{"issue":"1","key":"D4RA06975G\/cit52\/1","doi-asserted-by":"crossref","first-page":"2","DOI":"10.2174\/1570180811666140725184953","volume":"12","author":"Shaikh","year":"2015","journal-title":"Lett. Drug Des. Discovery"},{"issue":"9","key":"D4RA06975G\/cit53\/1","doi-asserted-by":"crossref","first-page":"374","DOI":"10.6026\/97320630012374","volume":"12","author":"Basha","year":"2016","journal-title":"Bioinformation"},{"issue":"12","key":"D4RA06975G\/cit54\/1","doi-asserted-by":"crossref","first-page":"3250","DOI":"10.1109\/TIT.2004.838101","volume":"50","author":"Li","year":"2004","journal-title":"IEEE Trans. Inf. Theory"},{"issue":"14","key":"D4RA06975G\/cit55\/1","doi-asserted-by":"crossref","first-page":"227","DOI":"10.1016\/0146-664X(80)90054-4","volume":"3","author":"Danielsson","year":"1980","journal-title":"Computer Graphics and Image Processing"},{"issue":"1","key":"D4RA06975G\/cit56\/1","volume-title":"The 7th international student conference on advanced science and technology ICAST","volume":"4","author":"Rahutomo","year":"2012","unstructured":"F.Rahutomo ,  T.Kitasuka , and  M.Aritsugi ,  Semantic cosine similarity ,  The 7th international student conference on advanced science and technology ICAST ,  2012 ,  vol. 4 ( 1 )"},{"issue":"15","key":"D4RA06975G\/cit57\/1","first-page":"1","volume":"20","author":"Chung","year":"2019","journal-title":"BMC Bioinf."},{"key":"D4RA06975G\/cit58\/1","first-page":"133","volume-title":"Chemoinformatics and Computational Chemical Biology","author":"Willett","year":"2011","unstructured":"P.Willett ,  Similarity searching using 2D structural fingerprints ,  Chemoinformatics and Computational Chemical Biology ,  2011 ,  pp. 133\u2013158"},{"issue":"3","key":"D4RA06975G\/cit59\/1","doi-asserted-by":"crossref","first-page":"235","DOI":"10.1108\/eb024099","volume":"6","author":"Polton","year":"1982","journal-title":"Online Rev."},{"issue":"6","key":"D4RA06975G\/cit60\/1","doi-asserted-by":"crossref","first-page":"1204","DOI":"10.1016\/j.chempr.2020.05.002","volume":"6","author":"Pattanaik","year":"2020","journal-title":"Chem"},{"issue":"3","key":"D4RA06975G\/cit61\/1","doi-asserted-by":"crossref","first-page":"569","DOI":"10.1021\/ci980159j","volume":"39","author":"McGregor","year":"1999","journal-title":"J. Chem. Inf. Comput."},{"issue":"1","key":"D4RA06975G\/cit62\/1","first-page":"1788","volume":"5","author":"Thakur","year":"2014","journal-title":"Int. J. Pharm. Sci. Res."},{"issue":"10","key":"D4RA06975G\/cit63\/1","doi-asserted-by":"crossref","first-page":"391","DOI":"10.6026\/97320630012391","volume":"12","author":"Chauhan","year":"2016","journal-title":"Bioinformation"},{"key":"D4RA06975G\/cit64\/1","doi-asserted-by":"crossref","first-page":"e83368","DOI":"10.7554\/eLife.83368","volume":"11","author":"Gizzio","year":"2022","journal-title":"eLife"}],"container-title":["RSC Advances"],"original-title":[],"language":"en","link":[{"URL":"http:\/\/pubs.rsc.org\/en\/content\/articlepdf\/2025\/RA\/D4RA06975G","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,7,2]],"date-time":"2026-07-02T17:55:17Z","timestamp":1783014917000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.rsc.org\/ra\/article\/15\/2\/851-869\/867584"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2025]]},"references-count":63,"journal-issue":{"issue":"2","published-print":{"date-parts":[[2025,1,9]]}},"URL":"https:\/\/doi.org\/10.1039\/d4ra06975g","relation":{"has-review":[{"id-type":"doi","id":"10.1039\/D4RA06975G\/v1\/review3","asserted-by":"object"},{"id-type":"doi","id":"10.1039\/D4RA06975G\/v2\/review1","asserted-by":"object"},{"id-type":"doi","id":"10.1039\/D4RA06975G\/v2\/review2","asserted-by":"object"},{"id-type":"doi","id":"10.1039\/D4RA06975G\/v1\/review1","asserted-by":"object"},{"id-type":"doi","id":"10.1039\/D4RA06975G\/v2\/decision1","asserted-by":"object"},{"id-type":"doi","id":"10.1039\/D4RA06975G\/v1\/review2","asserted-by":"object"},{"id-type":"doi","id":"10.1039\/D4RA06975G\/v2\/response1","asserted-by":"object"},{"id-type":"doi","id":"10.1039\/D4RA06975G\/v1\/decision1","asserted-by":"object"}]},"ISSN":["2046-2069"],"issn-type":[{"value":"2046-2069","type":"electronic"}],"subject":[],"published":{"date-parts":[[2025]]}}}