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Kell, Douglas B ORCID: 0000-0001-5838-7963, Samanta, Soumitra and Swainston, Neil ORCID: 0000-0001-7020-1236 (2020) Deep learning and generative methods in cheminformatics and chemical biology: navigating small molecule space intelligently. BIOCHEMICAL JOURNAL, 477 (23). pp. 4559-4580.

Khemchandani, Yash, O’Hagan, Stephen, Samanta, Soumitra, Swainston, Neil, Roberts, Timothy, Bollegala, Danushka ORCID: 0000-0003-4476-7003 and Kell, Douglas ORCID: 0000-0001-5838-7963 (2020) DeepGraphMol, a multi-objective, computational strategy for generating molecules with desirable properties: a graph convolution and reinforcement learning approach.

Khemchandani, Yash, O'Hagan, Steve ORCID: 0000-0001-6235-5462, Samanta, Soumitra ORCID: 0000-0003-2200-3061, Swainston, Neil ORCID: 0000-0001-7020-1236, Roberts, Timothy ORCID: 0000-0002-1464-0151, Bollegala, Danushka ORCID: 0000-0003-4476-7003 and Kell, Douglas ORCID: 0000-0001-5838-7963 (2020) DeepGraphMol, a multi-objective, computational strategy for generating molecules with desirable properties: a graph convolution and reinforcement learning approach. J. Cheminformatics, 12. p. 53.

Khemchandani, Yash ORCID: 0000-0001-5645-3509, O'Hagan, Steve ORCID: 0000-0001-6235-5462, Samanta, Soumitra ORCID: 0000-0003-2200-3061, Swainston, Neil ORCID: 0000-0001-7020-1236, Roberts, Timothy ORCID: 0000-0002-1464-0151, Bollegala, Danushka ORCID: 0000-0003-4476-7003 and Kell, Douglas ORCID: 0000-0001-5838-7963 (2020) DeepGraphMolGen, a multi-objective, computational strategy for generating molecules with desirable properties: a graph convolution and reinforcement learning approach.

Khemchandani, Yash, O'Hagan, Stephen, Samanta, Soumitra, Swainston, Neil ORCID: 0000-0001-7020-1236, Roberts, Timothy J, Bollegala, Danushka ORCID: 0000-0003-4476-7003 and Kell, Douglas B ORCID: 0000-0001-5838-7963 (2020) DeepGraphMolGen, a multi-objective, computational strategy for generating molecules with desirable properties: a graph convolution and reinforcement learning approach. Journal of Cheminformatics, 12 (1). 53-.

Shrivastava, Aditya Divyakant, Swainston, Neil, Samanta, Soumitra, Roberts, Ivayla, Wright Muelas, Marina ORCID: 0000-0002-4775-4358 and Kell, Douglas B ORCID: 0000-0001-5838-7963 (2021) MassGenie: A Transformer-Based Deep Learning Method for Identifying Small Molecules from Their Mass Spectra. BIOMOLECULES, 11 (12). 1793-.

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Ambridge, Ben ORCID: 0000-0003-2389-8477, Doherty, Laura, Maitreyee, Ramya, Tatsumi, Tomoko ORCID: 0000-0001-5590-016X, Zicherman, Shira, Mateo Pedro, Pedro, Kawakami, Ayuno, Bidgood, Amy ORCID: 0000-0002-9719-4256, Pye, Clifton, Narasimhan, Bhuvana et al (show 13 more authors) , Arnon, Inbal, Bekman, Dani, Efrati, Amir, Fabiola Can Pixabaj, Sindy, Marroquín Pelíz, Mario, Julajuj Mendoza, Margarita, Samanta, Soumitra, Campbell, Seth, McCauley, Stewart, Berman, Ruth, Misra Sharma, Dipti, Bhaya Nair, Rukmini ORCID: 0000-0002-2185-1651 and Fukumura, Kumiko (2021) Testing a computational model of causative overgeneralizations: Child judgment and production data from English, Hebrew, Hindi, Japanese and K’iche’. Open Research Europe, 1. p. 1.

Samanta, Soumitra ORCID: 0000-0003-2200-3061, O'Hagan, Steve, Swainston, Neil ORCID: 0000-0001-7020-1236, Roberts, Timothy J ORCID: 0000-0002-1464-0151 and Kell, Douglas B ORCID: 0000-0001-5838-7963 (2020) VAE-Sim: A Novel Molecular Similarity Measure Based on a Variational Autoencoder. Molecules, 25 (15). 3446-.

Samanta, Soumitra, O’Hagan, Steve, Swainston, Neil, Roberts, Timothy and Kell, Douglas ORCID: 0000-0001-5838-7963 (2020) VAE-Sim: a novel molecular similarity measure based on a variational autoencoder.

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Ambridge, Ben ORCID: 0000-0003-2389-8477, Maitreyee, Ramya ORCID: 0000-0002-8915-8757, Tatsumi, Tomoko, Doherty, Laura, Zicherman, Shira, Pedro, Pedro Mateo, Bannard, Colin ORCID: 0000-0001-5579-5830, Samanta, Soumitra ORCID: 0000-0003-2200-3061, McCauley, Stewart, Arnon, Inbal et al (show 12 more authors) , Bekman, Dani, Efrati, Amir, Berman, Ruth, Narasimhan, Bhuvana, Sharma, Dipti Misra, Nair, Rukmini Bhaya, Fukumura, Kumiko, Campbell, Seth, Pye, Clifton, Pixabaj, Sindy Fabiola Can, Pelíz, Mario Marroquín and Mendoza, Margarita Julajuj (2020) The crosslinguistic acquisition of sentence structure: Computational modeling and grammaticality judgments from adult and child speakers of English, Japanese, Hindi, Hebrew and K'iche'. Cognition, 202. 104310-.