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| 1 | Attribute driven inverse materials design using deep learning Bayesian framework显示文摘Much of computational materials science has focused on fast and accurate forward predictions of materials properties,for example,given a molecular structure predict its electronic properties.This is achieved with first principles calculations and more recently through machine learning approaches,since the former is computation-intensive and not practical for high-throughput screening.Searching for the right material for any given application,though follows an inverse path—the desired properties are given and the task is to find the right materials.Here we present a deep learning inverse prediction framework,Structure Learning for Attributedriven Materials Design Using Novel Conditional Sampling(SLAMDUNCS),for efficient and accurate prediction of molecules exhibiting target properties.We apply this framework to the computational design of organic molecules for three applications,organic semiconductors for thin-film transistors,small organic acceptors for solar cells and electrolyte additives with high redox stability.Our method is general enough to be extended to inorganic compounds and represents an important step in deep learning based completely automated materials discovery. | Piyush M.Tagade Shashishekar P.Adiga Shanthi Pandian Min Sik Park Krishnan S.Hariharan Subramanya Mayya Kolake | 2019 | npj Computational Materials2019，，1： | 2 |
| 2 | Effects of chronic rosiglitazone therapy on gene expression in human adipose tissue in vivo in patients with type 2 diabeles显示文摘 | Kolak M Yki-Jarvinen H Kannisto K | 2007 | J Clin Endocrinol Metab2007，92，2： | 1 |
| 3 | Gastric cancer:the role of insulin-like growth factor 2 (IGF2) and its receptors (IGF-1R and M6P/IGF-2R)显示文摘 | PAVELIC K KOLAK T KAPITANOVI(C)S | 2003 | J Pathol2003，201，3： | 1 |
| 4 | Gastric cancer: the role of insulin-like growth factor 2 ( IGF 2) and its receptors ( IGF 1R and M6-P/IGF 2R) 显示文摘 | Pavelic K Kolak T Kapitanovic S | 2003 | J Pathol2003，201，3： | 1 |
| 5 | Gastric cancer: the role of insulin-like growth factor 2 ( 1GF 2 ) and its receptors ( IGF 1 R and M6-P/IGF 2R) 显示文摘 | Paveli6 K Kolak T Kapitanoviff S | 2003 | J Pathol2003，201，3： | 1 |
| 6 | Family-level coparenting processes and child gender as moderators of family stress and toddler adjustment显示文摘 | Kolak AM Vernon-Feagans L | 2008 | Infant and Child Development2008，17，6： | 1 |
| 7 | Genes involved in fatty acid partitioning and binding, lipolysis, monocyte/macro- phage recruitment, and inflammation are overexpressed in the hu- man fatty liver of insulin-resistant subjects显示文摘 | Westerbacka J Kolak M Kiviluoto T | 2007 | Diabetes2007，56，11： | 1 |
| 8 | Antioxidant abietane diterpenoids from Salvia barrelieri显示文摘 | Ahmed Kabouche Zahia Kabouche Mehmet ?ztürk Ufuk Kolak Güla?t? Top?u | 2006 | Food Chemistry2006，，4： | 1 |
| 9 | Adipose tissue inflammation and increased ceramide content characterize subjects with high liver fat content independent of obesity 显示文摘 | Kolak M Westerbaeka J Velagapudi VR | 2007 | Diabetes2007，56，8： | 1 |
| 10 | Sedation and analgesia in intensive therapy显示文摘 | Pjevic M Kolak R Komarcevic M | 1998 | Med Pregl1998，51，： | 1 |
| 11 | Increased expression of the macrophage markers and of llbeta-HSEM in subcutaneous adipose tissue,but not in cultured monocyte-derived macrophages,is associated with liver fat in human obesity显示文摘 | Makkonen J Westerbacka J Kolak M | 2007 | Int J Obes(Lond)2007，31，10： | 1 |
| 12 | Automating extraction of logical domains in a Web site显示文摘 | NECIP FAZIL AYAN WEN-SYAN LI OKAN KOLAK | 2002 | In International Jour-nal of Data and Knowledge Engineering Elsevier Science2002，43，2： | 1 |
| 13 | Sibling jealousy in early childhood:Longitudinal links to sibling relationship quality显示文摘 | Kolak AM Volling BL | 2011 | Infant and Child Development2011，8，： | 1 |
| 14 | Cardioactive terpenoids and a new rearranged diterpene from Salvia syriaca显示文摘 | Ulubelen A Oks ZS Kolak U | 2000 | Planta Med2000，66，7： | 1 |
| 15 | Antioxidant diterpenoids from the roots of Salvia barrelieri显示文摘 | Kolak U Kabouche A Oztrk M | 2009 | Phytochem Ana2009，20，4： | 1 |
| 16 | New diterpenoids from the aerial parts of Salvia pilifera显示文摘 | Kolak U | 2007 | Turk J Chem2007，31，： | 1 |
| 17 | Genes involved in fattyacid partitioning and binding,lipolysis,monocyte/macrophagerecruitment,and inflammation are overexpressed in the humanfatty liver of insulin-resistant subjects显示文摘 | Jukka W Kolak M Kiviluoto T | 2007 | Diabetes2007，56，： | 1 |
| 18 | Adipose tissue inflammation and increased ceramide content characterize subjects with high liver fat content independent of obesity显示文摘 | Kolak M | 2007 | Diabetes2007，56，8： | 1 |
| 19 | Anesthetic management of' patients undergoing pituitary surgery显示文摘 | Horvat A Kolak J Gopcevid A | 2011 | Acta Clin Croat2011，50，2： | 1 |
| 20 | Effects of drying, heating, annealing, and roasting on carbonate skeleton material, with geochemical and diagenetic implications 显示文摘 | Gaffey S J Kolak J J Bronnimann C E | 1991 | Geochim Cosmochim Acta1991，55，6： | 1 |
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