标题/作者 | 年份 |
---|---|
R Gómez-Bombarelli, JN Wei, D Duvenaud, JM Hernández-Lobato, ... ACS central science 4 (2), 268-276 | 2018 |
T Ching, DS Himmelstein, BK Beaulieu-Jones, AA Kalinin, BT Do, ... Journal of The Royal Society Interface 15 (141), 20170387 | 2018 |
W Hu, M Fey, M Zitnik, Y Dong, H Ren, B Liu, M Catasta, J Leskovec Advances in neural information processing systems 33, 22118-22133 | 2020 |
J Vamathevan, D Clark, P Czodrowski, I Dunham, E Ferran, G Lee, B Li, ... Nature reviews Drug discovery 18 (6), 463-477 | 2019 |
H Chen, O Engkvist, Y Wang, M Olivecrona, T Blaschke Drug discovery today 23 (6), 1241-1250 | 2018 |
JM Stokes, K Yang, K Swanson, W Jin, A Cubillos-Ruiz, NM Donghia, ... Cell 180 (4), 688-702. e13 | 2020 |
B Sanchez-Lengeling, A Aspuru-Guzik Science 361 (6400), 360-365 | 2018 |
C Morris, M Ritzert, M Fey, WL Hamilton, JE Lenssen, G Rattan, M Grohe Proceedings of the AAAI conference on artificial intelligence 33 (01), 4602-4609 | 2019 |
K Yang, K Swanson, W Jin, C Coley, P Eiden, H Gao, A Guzman-Perez, ... Journal of chemical information and modeling 59 (8), 3370-3388 | 2019 |
PW Koh, S Sagawa, H Marklund, SM Xie, M Zhang, A Balsubramani, ... International Conference on Machine Learning, 5637-5664 | 2021 |
M Wang, D Zheng, Z Ye, Q Gan, M Li, X Song, J Zhou, C Ma, L Yu, Y Gai, ... arXiv preprint arXiv:1909.01315 | 2019 |
R Li, S Wang, F Zhu, J Huang Proceedings of the AAAI conference on artificial intelligence 32 (1) | 2018 |
C Shen Water Resources Research 54 (11), 8558-8593 | 2018 |
J Gasteiger, J Groß, S Günnemann arXiv preprint arXiv:2003.03123 | 2020 |
X Yang, Y Wang, R Byrne, G Schneider, S Yang Chemical reviews 119 (18), 10520-10594 | 2019 |
DC Elton, Z Boukouvalas, MD Fuge, PW Chung Molecular Systems Design & Engineering 4 (4), 828-849 | 2019 |
F Noé, A Tkatchenko, KR Müller, C Clementi Annual review of physical chemistry 71, 361-390 | 2020 |
CW Coley, WH Green, KF Jensen Accounts of chemical research 51 (5), 1281-1289 | 2018 |
L Ward, A Dunn, A Faghaninia, NER Zimmermann, S Bajaj, Q Wang, ... Computational Materials Science 152, 60-69 | 2018 |
S Jaeger, S Fulle, S Turk Journal of chemical information and modeling 58 (1), 27-35 | 2018 |
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