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We demonstrate that augmentation significantly increases performance and this effect is consistent across investigated methods. The convolutional neural network models developed with augmented data on average provided better performances compared to those developed using calculated molecular descriptors for both regression and classification tasks.<\/jats:p>","DOI":"10.1007\/978-3-030-30493-5_79","type":"book-chapter","created":{"date-parts":[[2019,9,10]],"date-time":"2019-09-10T20:03:41Z","timestamp":1568145821000},"page":"831-835","update-policy":"https:\/\/doi.org\/10.1007\/springer_crossmark_policy","source":"Crossref","is-referenced-by-count":41,"title":["Augmentation Is What You Need!"],"prefix":"10.1007","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-6855-0012","authenticated-orcid":false,"given":"Igor V.","family":"Tetko","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-4786-9806","authenticated-orcid":false,"given":"Pavel","family":"Karpov","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-1106-4379","authenticated-orcid":false,"given":"Eric","family":"Bruno","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-8881-920X","authenticated-orcid":false,"given":"Talia B.","family":"Kimber","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-9828-386X","authenticated-orcid":false,"given":"Guillaume","family":"Godin","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"297","published-online":{"date-parts":[[2019,9,9]]},"reference":[{"key":"79_CR1","unstructured":"Kimber, T.B., Engelke, S., Tetko, I.V., Bruno, E., Godin, G.: Synergy effect between convolutional neural networks and the multiplicity of SMILES for improvement of molecular prediction. eprint. arXiv:1812.04439 (2018)"},{"issue":"8","key":"79_CR2","doi-asserted-by":"publisher","first-page":"785","DOI":"10.1080\/17460441.2016.1201262","volume":"11","author":"II Baskin","year":"2016","unstructured":"Baskin, I.I., Winkler, D., Tetko, I.V.: A renaissance of neural networks in drug discovery. 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