Science & Research

24 cases, highest importance first. Mean importance 5.4. Combined citations 2,074.

Industries computational chemistry 6 drug discovery 5 complex systems science 1 chemical synthesis 1 research data tools 1 scientific machine learning 1 biomedical research 1 microscopy imaging 1 materials science 1 bioimaging microscopy 1 mineral exploration 1 biomedical imaging 1

#	Paper	Year	Citations	Importance
1	Learning interpretable network dynamics via universal neural symbolic regression Jiao Hu, Jiaxu Cui, Bo Xiong Yang	2025	13	7
2	Data-driven Chemical Reaction Prediction and Retrosynthesis Vishnu H Nair, Philippe Schwaller, Teodoro Laino	2019	32	7
3	Neural‐Symbolic Machine Learning for Retrosynthesis and Reaction Prediction Marwin Segler, Mark P. Waller	2017	549	7
4	SciDaSynth: Interactive Structured Data Extraction From Scientific Literature With Large Language Model Xingbo Wang, Samantha Lee Huey, Rui Sheng, Saurabh Mehta, Fei Wang	2025	12	6
5	Interpretable scientific discovery with symbolic regression: a review Nour Makke, Sanjay Chawla	2024	330	6
6	Leveraging Large Language Models for Enhancing Literature-Based Discovery Ikbal Taleb, Alramzana Nujum Navaz, Mohamed Adel Serhani	2024	15	6
7	Prediction of transition state structures of gas-phase chemical reactions via machine learning Sunghwan Choi	2023	58	6
8	Incorporating the image formation process into deep learning improves network performance Yue Li, Yijun P. Su, Min Yi Guo, Xiaofei Han, Jiamin Liu, Harshad D. V...	2022	123	6
9	Generative and reinforcement learning approaches for the automated de novo design of bioactive compounds Maria V. Korshunova, Niles Huang, Stephen J. Capuzzi, Dmytro S. Radche...	2022	101	6
10	Limits of Prediction for Machine Learning in Drug Discovery Modest von Korff, Thomas Sander	2022	21	6
11	Quantitative interpretation explains machine learning models for chemical reaction prediction and uncovers bias Dávid Péter Kovács, William McCorkindale, Alpha A. Lee	2021	114	6
12	Fitting potential energy surfaces with fundamental invariant neural network. II. Generating fundamental invariants for molecular systems with up to ten atoms Rongjun Chen, Kejie Shao, Bina Fu, Dong Hui Zhang	2020	103	6
13	Machine learning in chemical reaction space Sina Stocker, Gábor Cśanyi, Karsten Reuter, Johannes T. Margraf	2020	184	6
14	Exploring Deep Recurrent Models with Reinforcement Learning for Molecule Design	2018	n/a	6
15	CGBVS‐DNN: Prediction of Compound‐protein Interactions Based on Deep Learning Masatoshi Hamanaka, Kei Taneishi, Hiroaki Iwata, Jun Ye, Jianguo Pei,...	2016	70	6
16	Accelerating scientific discovery with generative knowledge extraction, graph-based representation, and multimodal intelligent graph reasoning Markus J. Buehler	2024	56	5
17	Deep learning-driven adaptive optics for single-molecule localization microscopy Peiyi Zhang, Donghan Ma, Xi Cheng, Andy Po‐Yi Tsai, Yu Jie Tang, Hao-C...	2023	40	5
18	Intelligent Identification and Prediction Mineral Resources Deposit Based on Deep Learning Le Gao, Kun Wang, Xin Zhang, Chen Wang	2023	15	5
19	Deep-Learning-Based Image Reconstruction and Enhancement in Optical Microscopy Kevin d. Haan, Yair Rivenson, Yichen Wu, Aydogan Özcan	2019	136	5
20	RetroRanker: leveraging reaction changes to improve retrosynthesis prediction through re-ranking Junren Li, Lei Fang, Jian–Guang Lou	2023	10	4
21	3D Mineral Prospectivity Mapping of Zaozigou Gold Deposit, West Qinling, China: Deep Learning-Based Mineral Prediction Zhengbo Yu, Bingli Liu, Miao Xie, Yixiao Wu, Yunhui Kong, Cheng Li, Gu...	2022	24	4
22	Quantifying the effects of environment and population diversity in multi-agent reinforcement learning Kevin R. McKee, Joel Z. Leibo, Charlie Beattie, Richard Everett	2022	18	4
23	Impact of non-normal error distributions on the benchmarking and ranking of quantum machine learning models Pascal Pernot, Bing Huang, Andreas Savin B	2020	26	3
24	Rate coefficients of the H + H2O2 → H2 + HO2 reaction on an accurate fundamental invariant-neural network potential energy surface Xiaoxiao Lu, Qingyong Meng, Xingan Wang, Bina Fu, Dong Hui Zhang	2018	24	2

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