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We analyse the effects of activation function for regularisation, we propose a new graph attention mechanism, and we implement a new edge-based memory system that should maximise the effectiveness of hidden state usage by directing and isolating information flow around the graph. We compare our results to the MolNet [14] benchmarking paper results on graph-based techniques, and also investigate the effect of method performance as a function of dataset preprocessing.\n<\/jats:p>","DOI":"10.1007\/978-3-030-30493-5_69","type":"book-chapter","created":{"date-parts":[[2019,9,10]],"date-time":"2019-09-10T20:03:41Z","timestamp":1568145821000},"page":"752-757","update-policy":"https:\/\/doi.org\/10.1007\/springer_crossmark_policy","source":"Crossref","is-referenced-by-count":1,"title":["Attention and Edge Memory Convolution for Bioactivity Prediction"],"prefix":"10.1007","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-9706-8698","authenticated-orcid":false,"given":"Michael","family":"Withnall","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Edvard","family":"Lindel\u00f6f","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Ola","family":"Engkvist","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Hongming","family":"Chen","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"297","published-online":{"date-parts":[[2019,9,9]]},"reference":[{"issue":"9\u201310","key":"69_CR1","doi-asserted-by":"publisher","first-page":"625","DOI":"10.1007\/s10822-005-9020-4","volume":"19","author":"C Bologa","year":"2005","unstructured":"Bologa, C., Allu, T.K., Olah, M., Kappler, M.A., Oprea, T.I.: Descriptor collision and confusion: toward the design of descriptors to mask chemical structures. 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