{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,22]],"date-time":"2026-10-22T04:29:32Z","timestamp":1792643372797,"version":"4.5.0"},"reference-count":208,"publisher":"American Chemical Society (ACS)","issue":"3","license":[{"start":{"date-parts":[[2023,2,2]],"date-time":"2023-02-02T00:00:00Z","timestamp":1675296000000},"content-version":"unspecified","delay-in-days":8,"URL":"https:\/\/creativecommons.org\/licenses\/by-nc-nd\/4.0\/"}],"funder":[{"DOI":"10.13039\/100008902","name":"Los Alamos National Laboratory","doi-asserted-by":"publisher","award":["20200234ER"],"award-info":[{"award-number":["20200234ER"]}],"id":[{"id":"10.13039\/100008902","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/100008902","name":"Los Alamos National Laboratory","doi-asserted-by":"publisher","award":["20220068DR"],"award-info":[{"award-number":["20220068DR"]}],"id":[{"id":"10.13039\/100008902","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2023,2,13]]},"DOI":"10.1021\/acs.jcim.2c01154","type":"journal-article","created":{"date-parts":[[2023,1,25]],"date-time":"2023-01-25T15:33:09Z","timestamp":1674660789000},"page":"753-769","source":"Crossref","is-referenced-by-count":42,"title":["Chemical Descriptors for a Large-Scale Study on Drop-Weight Impact Sensitivity of High Explosives"],"prefix":"10.1021","volume":"63","author":[{"ORCID":"https:\/\/orcid.org\/0000-0003-3445-9170","authenticated-orcid":true,"given":"Frank W.","family":"Marrs","sequence":"first","affiliation":[{"name":"Los Alamos National Laboratory, Los Alamos, New Mexico87545, United States"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Jack V.","family":"Davis","sequence":"additional","affiliation":[{"name":"Los Alamos National Laboratory, Los Alamos, New Mexico87545, United States"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Alexandra C.","family":"Burch","sequence":"additional","affiliation":[{"name":"Los Alamos National Laboratory, Los Alamos, New Mexico87545, United States"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Geoffrey W.","family":"Brown","sequence":"additional","affiliation":[{"name":"Los Alamos National Laboratory, Los Alamos, New Mexico87545, United States"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-5932-8885","authenticated-orcid":true,"given":"Nicholas","family":"Lease","sequence":"additional","affiliation":[{"name":"Los Alamos National Laboratory, Los Alamos, New Mexico87545, United States"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Patricia L.","family":"Huestis","sequence":"additional","affiliation":[{"name":"Los Alamos National Laboratory, Los Alamos, New Mexico87545, United States"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-8919-3368","authenticated-orcid":true,"given":"Marc J.","family":"Cawkwell","sequence":"additional","affiliation":[{"name":"Los Alamos National Laboratory, Los Alamos, New Mexico87545, United States"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-1916-4887","authenticated-orcid":true,"given":"Virginia W.","family":"Manner","sequence":"additional","affiliation":[{"name":"Los Alamos National Laboratory, Los Alamos, New Mexico87545, United States"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2023,1,25]]},"reference":[{"key":"ref1\/cit1","unstructured":"DOE Explosive Safety Standard; DOE-STD-1212-2012; U.S. Department of Energy, 2012."},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.1007\/s40870-020-00276-2"},{"key":"ref3\/cit3","first-page":"48","volume":"2","author":"Davis W. C.","year":"1981","journal-title":"Los Alamos Science"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1039\/C8SC00903A"},{"key":"ref5\/cit5","doi-asserted-by":"crossref","unstructured":"Cheng, R.; Zecevic, M.; Moore, J.; Cawkwell, M.; Manner, V. W.Large Deformation GNARLYX Hydrocode Simulations of the Drop Weight Impact Experiment. In Review, 2022.","DOI":"10.26226\/m.62a9d1f19deaf4fdb6b3ff82"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1039\/tf9615701612"},{"key":"ref7\/cit7","unstructured":"Kamlet, M.The Relationship of Impact Sensitivity with Structure of Organic High Explosives. II. Polynitroaliphatic Explosives.Sixth Symposium (International) on Detonation, Coronads, CA, 1976; pp 69\u201372."},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1002\/prep.19790040204"},{"key":"ref9\/cit9","doi-asserted-by":"crossref","DOI":"10.1119\/1.1933188","volume-title":"Initiation and Growth of Explosion in Liquids and Solids","author":"Bowden F. P.","year":"1952"},{"key":"ref10\/cit10","doi-asserted-by":"crossref","unstructured":"Storm, C.; Stine, J.; Kramer, J.Chemistry and Physics of Energetic Materials; Springer, 1990; pp 605\u2013639.","DOI":"10.1007\/978-94-009-2035-4_27"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpca.9b10808"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1021\/acsphyschemau.2c00022"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1107\/S0365110X6500107X"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1021\/jp012602q"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1016\/S0166-1280(01)00782-5"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1021\/ja0658620"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1021\/jp800930d"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1021\/cm703657k"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1063\/1.3295119"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1021\/jp905969y"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1021\/jp9010845"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1021\/ja404164j"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.1021\/ja2027053"},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.1021\/jp504935g"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1021\/acs.cgd.5b00336"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.1021\/ct5007899"},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1002\/prep.201500351"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1021\/ci950223m"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.1002\/prep.200600030"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1016\/j.jhazmat.2006.07.046"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.1016\/j.jhazmat.2008.11.005"},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.1080\/07370652.2010.550598"},{"key":"ref33\/cit33","doi-asserted-by":"publisher","DOI":"10.1038\/s41598-018-27344-x"},{"key":"ref34\/cit34","doi-asserted-by":"publisher","DOI":"10.1021\/j100136a017"},{"key":"ref35\/cit35","doi-asserted-by":"publisher","DOI":"10.1002\/prep.200800201"},{"key":"ref36\/cit36","doi-asserted-by":"publisher","DOI":"10.1021\/acs.iecr.0c06294"},{"key":"ref37\/cit37","doi-asserted-by":"publisher","DOI":"10.1063\/5.0073867"},{"key":"ref38\/cit38","doi-asserted-by":"crossref","DOI":"10.1525\/9780520313743","volume-title":"LASL Explosive Property Data","author":"Gibbs T.","year":"1980"},{"key":"ref39\/cit39","doi-asserted-by":"publisher","DOI":"10.1021\/acs.joc.9b03344"},{"key":"ref40\/cit40","doi-asserted-by":"publisher","DOI":"10.1002\/anie.201612496"},{"key":"ref41\/cit41","doi-asserted-by":"publisher","DOI":"10.1002\/anie.201100300"},{"key":"ref42\/cit42","doi-asserted-by":"publisher","DOI":"10.1021\/jacs.9b06961"},{"key":"ref43\/cit43","doi-asserted-by":"publisher","DOI":"10.1039\/C6CC90263D"},{"key":"ref44\/cit44","doi-asserted-by":"publisher","DOI":"10.1016\/j.jhazmat.2008.11.005"},{"key":"ref45\/cit45","doi-asserted-by":"publisher","DOI":"10.1007\/s10593-017-2119-4"},{"key":"ref46\/cit46","doi-asserted-by":"publisher","DOI":"10.1002\/anie.201506744"},{"key":"ref47\/cit47","doi-asserted-by":"publisher","DOI":"10.1055\/s-0032-1316704"},{"key":"ref48\/cit48","doi-asserted-by":"publisher","DOI":"10.1055\/s-0030-1261169"},{"key":"ref49\/cit49","doi-asserted-by":"publisher","DOI":"10.1039\/C5TA05291B"},{"key":"ref50\/cit50","doi-asserted-by":"publisher","DOI":"10.1107\/S2056989017008817"},{"key":"ref51\/cit51","doi-asserted-by":"publisher","DOI":"10.1021\/acs.cgd.9b01062"},{"key":"ref52\/cit52","doi-asserted-by":"publisher","DOI":"10.1063\/12.0001125"},{"key":"ref53\/cit53","unstructured":"Manner, V. W.; Cawkwell, M. J.; Brown, G. W.; Yeager, J.; Kay, L. M.; Shorty, M.; Leonard, P.; Tappan, B. C.; Veauthier, J.Examining the Effects of Crystal Structure and Bonding on Explosive Impact Sensitivity. Sixteenth International Detonation Symposium, 2019; pp 1384\u20131393."},{"key":"ref54\/cit54","doi-asserted-by":"publisher","DOI":"10.1002\/chem.201602171"},{"key":"ref55\/cit55","doi-asserted-by":"publisher","DOI":"10.1039\/C9DT03138C"},{"key":"ref56\/cit56","doi-asserted-by":"publisher","DOI":"10.1021\/acsaem.9b01889"},{"key":"ref57\/cit57","doi-asserted-by":"publisher","DOI":"10.1021\/acs.joc.9b02484"},{"key":"ref58\/cit58","doi-asserted-by":"publisher","DOI":"10.1039\/C8DT03616K"},{"key":"ref59\/cit59","doi-asserted-by":"publisher","DOI":"10.1039\/C9NJ03306H"},{"key":"ref60\/cit60","doi-asserted-by":"publisher","DOI":"10.1039\/C8TA06199H"},{"key":"ref61\/cit61","doi-asserted-by":"publisher","DOI":"10.1021\/acsaem.9b01608"},{"key":"ref62\/cit62","doi-asserted-by":"publisher","DOI":"10.1002\/zaac.201900146"},{"key":"ref63\/cit63","doi-asserted-by":"publisher","DOI":"10.1002\/prep.201900285"},{"key":"ref64\/cit64","doi-asserted-by":"publisher","DOI":"10.1002\/jhet.3109"},{"key":"ref65\/cit65","doi-asserted-by":"publisher","DOI":"10.1002\/ejoc.201700434"},{"key":"ref66\/cit66","doi-asserted-by":"publisher","DOI":"10.1002\/cplu.201700542"},{"key":"ref67\/cit67","doi-asserted-by":"publisher","DOI":"10.1002\/chem.201702191"},{"key":"ref68\/cit68","doi-asserted-by":"publisher","DOI":"10.1002\/slct.201601114"},{"key":"ref69\/cit69","doi-asserted-by":"publisher","DOI":"10.1002\/ejoc.201600717"},{"key":"ref70\/cit70","doi-asserted-by":"publisher","DOI":"10.1002\/zaac.201600223"},{"key":"ref71\/cit71","doi-asserted-by":"publisher","DOI":"10.1515\/znb-2016-0022"},{"key":"ref72\/cit72","doi-asserted-by":"publisher","DOI":"10.1002\/ejic.201600357"},{"key":"ref73\/cit73","doi-asserted-by":"publisher","DOI":"10.1002\/cplu.201600078"},{"key":"ref74\/cit74","doi-asserted-by":"publisher","DOI":"10.1039\/C5DT03044G"},{"key":"ref75\/cit75","doi-asserted-by":"publisher","DOI":"10.1039\/C6NJ00202A"},{"key":"ref76\/cit76","doi-asserted-by":"publisher","DOI":"10.1002\/chem.201502989"},{"key":"ref77\/cit77","doi-asserted-by":"publisher","DOI":"10.1002\/zaac.201300563"},{"key":"ref78\/cit78","doi-asserted-by":"publisher","DOI":"10.1002\/ejic.201301114"},{"key":"ref79\/cit79","doi-asserted-by":"publisher","DOI":"10.1002\/chem.201402291"},{"key":"ref80\/cit80","doi-asserted-by":"publisher","DOI":"10.1016\/j.jfluchem.2013.06.019"},{"key":"ref81\/cit81","doi-asserted-by":"publisher","DOI":"10.1002\/zaac.201200188"},{"key":"ref82\/cit82","doi-asserted-by":"publisher","DOI":"10.1002\/chem.201202483"},{"key":"ref83\/cit83","doi-asserted-by":"publisher","DOI":"10.1002\/zaac.201000229"},{"key":"ref84\/cit84","doi-asserted-by":"publisher","DOI":"10.1002\/prep.201100151"},{"key":"ref85\/cit85","doi-asserted-by":"publisher","DOI":"10.1002\/prep.201000057"},{"key":"ref86\/cit86","doi-asserted-by":"publisher","DOI":"10.1021\/ic902387y"},{"key":"ref87\/cit87","doi-asserted-by":"publisher","DOI":"10.1002\/ejic.201101416"},{"key":"ref88\/cit88","doi-asserted-by":"publisher","DOI":"10.1002\/chem.201203493"},{"key":"ref89\/cit89","doi-asserted-by":"publisher","DOI":"10.1039\/c2nj40044h"},{"key":"ref90\/cit90","doi-asserted-by":"publisher","DOI":"10.1002\/asia.201300063"},{"key":"ref91\/cit91","doi-asserted-by":"publisher","DOI":"10.1002\/prep.200700261"},{"key":"ref92\/cit92","doi-asserted-by":"publisher","DOI":"10.1021\/jo802738c"},{"key":"ref93\/cit93","doi-asserted-by":"publisher","DOI":"10.1039\/B812529E"},{"key":"ref94\/cit94","unstructured":"Stepanov, V.; Anglade, V.; Bezmelnitsyn, A.; Krasnoperov, L. N.Production and Characterization of Nanocrystalline Explosive RDX.AIChE Annual Meeting, San Francisco, CA, USA, 2006."},{"key":"ref95\/cit95","doi-asserted-by":"publisher","DOI":"10.1016\/S0010-2180(02)00373-5"},{"key":"ref96\/cit96","doi-asserted-by":"publisher","DOI":"10.1039\/b811273h"},{"key":"ref97\/cit97","doi-asserted-by":"publisher","DOI":"10.1039\/C8CC09653H"},{"key":"ref98\/cit98","doi-asserted-by":"publisher","DOI":"10.1016\/j.cej.2019.122331"},{"key":"ref99\/cit99","doi-asserted-by":"publisher","DOI":"10.1021\/jacs.9b11326"},{"key":"ref100\/cit100","doi-asserted-by":"publisher","DOI":"10.1021\/acs.orglett.9b01565"},{"key":"ref101\/cit101","doi-asserted-by":"publisher","DOI":"10.1021\/acs.orglett.9b04642"},{"key":"ref102\/cit102","doi-asserted-by":"publisher","DOI":"10.1039\/C9CC04496E"},{"key":"ref103\/cit103","doi-asserted-by":"publisher","DOI":"10.1002\/prep.201000093"},{"key":"ref104\/cit104","doi-asserted-by":"publisher","DOI":"10.1007\/s10593-017-2122-9"},{"key":"ref105\/cit105","doi-asserted-by":"publisher","DOI":"10.1002\/jhet.3434"},{"key":"ref106\/cit106","doi-asserted-by":"publisher","DOI":"10.1002\/ejoc.201801285"},{"key":"ref107\/cit107","doi-asserted-by":"publisher","DOI":"10.1002\/ejoc.201700280"},{"key":"ref108\/cit108","doi-asserted-by":"publisher","DOI":"10.1002\/cplu.201900710"},{"key":"ref109\/cit109","doi-asserted-by":"publisher","DOI":"10.1021\/acs.oprd.8b00076"},{"key":"ref110\/cit110","doi-asserted-by":"publisher","DOI":"10.1021\/acs.oprd.0c00068"},{"key":"ref111\/cit111","doi-asserted-by":"publisher","DOI":"10.1039\/C8CC05987J"},{"key":"ref112\/cit112","doi-asserted-by":"publisher","DOI":"10.1039\/C7TA05394K"},{"key":"ref113\/cit113","doi-asserted-by":"publisher","DOI":"10.1021\/acsaem.9b00049"},{"key":"ref114\/cit114","doi-asserted-by":"publisher","DOI":"10.1039\/C6TA03536A"},{"key":"ref115\/cit115","doi-asserted-by":"publisher","DOI":"10.1002\/anie.201408127"},{"key":"ref116\/cit116","doi-asserted-by":"publisher","DOI":"10.1039\/C8TA02274G"},{"key":"ref117\/cit117","doi-asserted-by":"publisher","DOI":"10.1039\/C6TA08055C"},{"key":"ref118\/cit118","doi-asserted-by":"publisher","DOI":"10.1039\/C5TA09803C"},{"key":"ref119\/cit119","doi-asserted-by":"publisher","DOI":"10.1021\/acs.orglett.9b02875"},{"key":"ref120\/cit120","doi-asserted-by":"publisher","DOI":"10.1039\/C6TA02387H"},{"key":"ref121\/cit121","doi-asserted-by":"publisher","DOI":"10.1021\/acs.orglett.8b04114"},{"key":"ref122\/cit122","doi-asserted-by":"publisher","DOI":"10.1039\/c3ta13425c"},{"key":"ref123\/cit123","doi-asserted-by":"publisher","DOI":"10.1039\/C6DT02438F"},{"key":"ref124\/cit124","doi-asserted-by":"publisher","DOI":"10.1039\/C6CC03833F"},{"key":"ref125\/cit125","doi-asserted-by":"publisher","DOI":"10.1039\/C5TA06898C"},{"key":"ref126\/cit126","doi-asserted-by":"publisher","DOI":"10.1002\/chem.201102901"},{"key":"ref127\/cit127","doi-asserted-by":"publisher","DOI":"10.1039\/c2jm31535a"},{"key":"ref128\/cit128","doi-asserted-by":"publisher","DOI":"10.1002\/anie.201205134"},{"key":"ref129\/cit129","doi-asserted-by":"publisher","DOI":"10.1039\/c2ta01359b"},{"key":"ref130\/cit130","doi-asserted-by":"publisher","DOI":"10.1002\/chem.201300994"},{"key":"ref131\/cit131","doi-asserted-by":"publisher","DOI":"10.1039\/c3ta11356f"},{"key":"ref132\/cit132","doi-asserted-by":"publisher","DOI":"10.1002\/chem.201404991"},{"key":"ref133\/cit133","doi-asserted-by":"publisher","DOI":"10.1002\/asia.201402538"},{"key":"ref134\/cit134","doi-asserted-by":"publisher","DOI":"10.1002\/chem.201303469"},{"key":"ref135\/cit135","doi-asserted-by":"publisher","DOI":"10.1002\/chem.201501612"},{"key":"ref136\/cit136","doi-asserted-by":"publisher","DOI":"10.1021\/ja406629g"},{"key":"ref137\/cit137","doi-asserted-by":"publisher","DOI":"10.1002\/anie.201606894"},{"key":"ref138\/cit138","doi-asserted-by":"publisher","DOI":"10.1039\/C6TA02384C"},{"key":"ref139\/cit139","doi-asserted-by":"publisher","DOI":"10.1002\/anie.201600068"},{"key":"ref140\/cit140","doi-asserted-by":"publisher","DOI":"10.1002\/asia.201601615"},{"key":"ref141\/cit141","doi-asserted-by":"publisher","DOI":"10.1002\/chem.201704446"},{"key":"ref142\/cit142","doi-asserted-by":"publisher","DOI":"10.1039\/C7TA00730B"},{"key":"ref143\/cit143","doi-asserted-by":"publisher","DOI":"10.1002\/chem.201703930"},{"key":"ref144\/cit144","doi-asserted-by":"publisher","DOI":"10.1039\/C7TA01111C"},{"key":"ref145\/cit145","doi-asserted-by":"publisher","DOI":"10.1002\/chem.201700786"},{"key":"ref146\/cit146","doi-asserted-by":"publisher","DOI":"10.1002\/chem.201704939"},{"key":"ref147\/cit147","doi-asserted-by":"publisher","DOI":"10.1002\/anie.201704687"},{"key":"ref148\/cit148","doi-asserted-by":"publisher","DOI":"10.1021\/jacs.7b05158"},{"key":"ref149\/cit149","doi-asserted-by":"publisher","DOI":"10.1039\/C7NJ00327G"},{"key":"ref150\/cit150","doi-asserted-by":"publisher","DOI":"10.1002\/prep.201600294"},{"key":"ref151\/cit151","doi-asserted-by":"publisher","DOI":"10.1002\/ejoc.201800347"},{"key":"ref152\/cit152","doi-asserted-by":"publisher","DOI":"10.1039\/C8NJ03472A"},{"key":"ref153\/cit153","doi-asserted-by":"publisher","DOI":"10.1002\/chem.201804418"},{"key":"ref154\/cit154","doi-asserted-by":"publisher","DOI":"10.1021\/acs.orglett.8b03639"},{"key":"ref155\/cit155","doi-asserted-by":"publisher","DOI":"10.1039\/C8TA02704H"},{"key":"ref156\/cit156","doi-asserted-by":"publisher","DOI":"10.1002\/ejoc.201900415"},{"key":"ref157\/cit157","doi-asserted-by":"publisher","DOI":"10.1039\/C9TA01717H"},{"key":"ref158\/cit158","doi-asserted-by":"publisher","DOI":"10.1002\/chem.201300747"},{"key":"ref159\/cit159","doi-asserted-by":"publisher","DOI":"10.1002\/prep.199300003"},{"key":"ref160\/cit160","doi-asserted-by":"publisher","DOI":"10.1002\/prep.201100074"},{"key":"ref161\/cit161","doi-asserted-by":"publisher","DOI":"10.1021\/i360045a002"},{"key":"ref162\/cit162","doi-asserted-by":"publisher","DOI":"10.1080\/07370652.2013.812160"},{"key":"ref163\/cit163","doi-asserted-by":"publisher","DOI":"10.1002\/prep.201000030"},{"key":"ref164\/cit164","volume-title":"Introduction to the Technology of Explosives","author":"Paul W.","year":"1997"},{"key":"ref165\/cit165","doi-asserted-by":"publisher","DOI":"10.1021\/acsmaterialsau.1c00013"},{"key":"ref166\/cit166","doi-asserted-by":"publisher","DOI":"10.1002\/prep.201100059"},{"key":"ref167\/cit167","doi-asserted-by":"publisher","DOI":"10.1002\/1521-4087(200006)25:3<126::AID-PREP126>3.0.CO;2-8"},{"key":"ref168\/cit168","doi-asserted-by":"publisher","DOI":"10.1002\/prep.19930180602"},{"key":"ref169\/cit169","doi-asserted-by":"publisher","DOI":"10.1002\/prep.200300018"},{"key":"ref170\/cit170","doi-asserted-by":"publisher","DOI":"10.1002\/1521-4087(200112)26:6<311::AID-PREP311>3.0.CO;2-S"},{"key":"ref171\/cit171","doi-asserted-by":"publisher","DOI":"10.1021\/acs.iecr.7b02021"},{"key":"ref172\/cit172","unstructured":"Alster, J.A Statistical Correlation of Impact Sensitivity with Oxygen Balance for Secondary Explosives. Proceedings of the 3rd Symposium on Detonation, 1960; pp 693\u2013705."},{"key":"ref173\/cit173","volume-title":"Explosives Engineering","author":"Cooper P. W.","year":"2018"},{"key":"ref174\/cit174","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.58.7260"},{"key":"ref175\/cit175","doi-asserted-by":"publisher","DOI":"10.1002\/(SICI)1521-3951(200001)217:1<41::AID-PSSB41>3.0.CO;2-V"},{"key":"ref176\/cit176","doi-asserted-by":"publisher","DOI":"10.1063\/1.5063385"},{"key":"ref177\/cit177","unstructured":"Tukey, J. W.Statistical Analysis for A New Procedure in Sensitivity Experiments. Applied Mathematics Panel National Defense Research Committee Report, 1944, Vol. 101."},{"key":"ref178\/cit178","doi-asserted-by":"publisher","DOI":"10.2307\/1269199"},{"key":"ref179\/cit179","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRev.94.1498"},{"key":"ref180\/cit180","series-title":"Oxford Series on Materials Modelling","doi-asserted-by":"crossref","DOI":"10.1093\/acprof:oso\/9780198509776.001.0001","volume-title":"Interatomic Forces in Condensed Matter","author":"Finnis M.","year":"2003"},{"key":"ref181\/cit181","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.1c00312"},{"key":"ref182\/cit182","doi-asserted-by":"publisher","DOI":"10.1007\/s00894-021-04956-1"},{"key":"ref183\/cit183","doi-asserted-by":"publisher","DOI":"10.1002\/qua.21990"},{"key":"ref184\/cit184","doi-asserted-by":"publisher","DOI":"10.1080\/00018736700101495"},{"key":"ref185\/cit185","doi-asserted-by":"publisher","DOI":"10.1016\/0022-3697(70)90134-4"},{"key":"ref186\/cit186","doi-asserted-by":"publisher","DOI":"10.1016\/S0022-3697(71)80031-8"},{"key":"ref187\/cit187","doi-asserted-by":"publisher","DOI":"10.1007\/978-1-4615-3394-8_5"},{"key":"ref188\/cit188","doi-asserted-by":"crossref","DOI":"10.1093\/oso\/9780198517870.001.0001","volume-title":"Bonding and Structure of Molecules and Solids","author":"Pettifor D. G.","year":"1995"},{"key":"ref189\/cit189","unstructured":"Hammerschmidt, T.; Drautz, R. InMultiscale Simulation Methods in Molecular Sciences; Grotendorst, J., Attig, N., Bl\u00fcgel, S., Marx, D., Eds. J\u00fclich Supercomputing Centre: Forschungzentrum J\u00fclich, J\u00fclich, Germany, 2009; p 229."},{"key":"ref190\/cit190","doi-asserted-by":"publisher","DOI":"10.1016\/j.pmatsci.2006.10.004"},{"key":"ref191\/cit191","volume-title":"Solid State Physics","author":"Ashcroft N. W.","year":"1976"},{"key":"ref192\/cit192","volume-title":"Explosive Shocks in Air","author":"Kinney G. F.","year":"2013"},{"key":"ref193\/cit193","volume-title":"NIST Chemistry WebBook, NIST Standard Reference Database Number 69","author":"Burgess D.","year":"2022"},{"key":"ref194\/cit194","doi-asserted-by":"publisher","DOI":"10.1111\/j.2517-6161.1996.tb02080.x"},{"key":"ref195\/cit195","unstructured":"Zou, H.; Hastie, T.elasticnet: Elastic-Net for Sparse Estimation and Sparse PCA, 2020; R package version 1.3."},{"key":"ref196\/cit196","doi-asserted-by":"publisher","DOI":"10.1023\/A:1010933404324"},{"key":"ref197\/cit197","doi-asserted-by":"publisher","DOI":"10.1051\/proc\/201760144"},{"key":"ref198\/cit198","first-page":"6673","volume":"18","author":"Probst P.","year":"2017","journal-title":"J. Mach. Learn. Res."},{"key":"ref199\/cit199","doi-asserted-by":"crossref","DOI":"10.1007\/978-0-387-84858-7","volume-title":"The Elements of Statistical Learning: Data Mining, Inference, and Prediction","volume":"2","author":"Hastie T.","year":"2009"},{"key":"ref200\/cit200","first-page":"1","volume":"21","author":"Mentch L.","year":"2020","journal-title":"J. Mach. Learn. Res."},{"key":"ref201\/cit201","doi-asserted-by":"publisher","DOI":"10.1016\/j.patrec.2010.03.014"},{"key":"ref202\/cit202","first-page":"18","volume":"2","author":"Liaw A.","year":"2002","journal-title":"R News"},{"key":"ref203\/cit203","doi-asserted-by":"crossref","unstructured":"Genuer, R.; Poggi, J.M.; Tuleau-Malot, C.VSURF: Variable Selection Using Random Forests, 2019; R package version 1.1.0.","DOI":"10.1007\/978-3-030-56485-8_1"},{"key":"ref204\/cit204","doi-asserted-by":"publisher","DOI":"10.1111\/j.2517-6161.1974.tb00994.x"},{"key":"ref205\/cit205","first-page":"1","volume":"20","author":"Fisher A.","year":"2019","journal-title":"J. Mach. Learn. Res."},{"key":"ref206\/cit206","doi-asserted-by":"publisher","DOI":"10.1111\/rssb.12377"},{"key":"ref207\/cit207","volume-title":"Modern Density Functional Theory: A Tool for Chemistry","author":"Politzer P.","year":"1995"},{"key":"ref208\/cit208","doi-asserted-by":"publisher","DOI":"10.1021\/acs.cgd.5b00336"}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.2c01154","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.2c01154","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,12,5]],"date-time":"2023-12-05T16:38:51Z","timestamp":1701794331000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jcim.2c01154"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2023,1,25]]},"references-count":208,"journal-issue":{"issue":"3","published-print":{"date-parts":[[2023,2,13]]}},"alternative-id":["10.1021\/acs.jcim.2c01154"],"URL":"https:\/\/doi.org\/10.1021\/acs.jcim.2c01154","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2023,1,25]]}}}