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With the fast development of COVID-19 into a global pandemic, scientists around the globe are desperately searching for effective antiviral therapeutic agents.
Simple statistical gradient-following algorithms for connectionist reinforcement learning
Williams, R. J · 1992
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Identification of a novel coronavirus in patients with severe acute respiratory syndrome
Drosten, C. et al · 2003
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Extended-connectivity fingerprints
Rogers, D. and Hahn, M · 2010
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Quantifying the chemical beauty of drugs
Bickerton, G. R., Paolini, G. V., Besnard, J., Muresan, S., and Hopkins, A. L · 2012
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Diagnosing the decline in pharmaceutical r&d efficiency
Scannell, J. W., Blanckley, A., Boldon, H., and Warrington, B · 2012
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Inferring algorithmic patterns with stack-augmented recurrent nets
Joulin, A. and Mikolov, T · 2015
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Smiles enumeration as data augmentation for neural network modeling of molecules
Bjerrum, E. J · 2017
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Latent molecular optimization for targeted therapeutic design
Aumentado-Armstrong, T · 2018
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Umap: Uniform manifold approximation and projection for dimension reduction
McInnes, L., Healy, J., and Melville, J · 2018
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Fun: a framework for interactive visualizations of large, high-dimensional datasets on the web
Probst, D. and Reymond, J.-L · 2018
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Moleculenet: a benchmark for molecular machine learning
Wu, Z., Ramsundar, B., Feinberg, E. N., Gomes, J., Geniesse, C., Pappu, A. S., Leswing, K., and Pande, V · 2018
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Deepaffinity: interpretable deep learning of compound–protein affinity through unified recurrent and convolutional neural networks
Karimi, M., Wu, D., Wang, Z., and Shen, Y · 2019
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Krenn, M., Häse, F., Nigam, A., Friederich, P., and Aspuru-Guzik, A · 2019
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Toward explainable anticancer compound sensitivity prediction via multimodal attention-based convolutional encoders
Manica, M., Oskooei, A., Born, J., Subramanian, V., Sáez-Rodríguez, J., and Rodríguez Martínez, M · 2019
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Evaluating protein transfer learning with tape
Rao, R., Bhattacharya, N., Thomas, N., Duan, Y., Chen, X., Canny, J., Abbeel, P., and Song, Y. S · 2019
Identification of potential treatments for covid-19 through artificial intelligence-enabled phenomic analysis of human cells infected with sars-cov-2
Heiser, K. et al · 2020
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Potential inhibitor of covid-19 main protease (mpro) from several medicinal plant compounds by molecular docking study
Khaerunnisa, S., Kurniawan, H., Awaluddin, R., Suhartati, S., and Soetjipto, S · 2020
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Visualization of very large high-dimensional data sets as minimum spanning trees
Probst, D. and Reymond, J.-L · 2020
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Predicting retrosynthetic pathways using transformer-based models and a hyper-graph exploration strategy
Schwaller, P., Petraglia, R., Zullo, V., Nair, V. H., Haeuselmann, R. A., Pisoni, R., Bekas, C., Laino, T., et al · 2020
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Hydroxychloroquine versus covid-19: A periodic systematic review and meta-analysis
Shamshirian, A., Hessami, A., Heydari, K., and Alizadeh-Navaei, R. e. a · 2020
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Deep learning enables rapid identification of potent ddr1 kinase inhibitors
Zhavoronkov, A. et al · 2019
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Paccmann rl: Designing anticancer drugs from transcriptomic data via reinforcement learning
Born, J., Manica, M., Oskooei, A., Cadow, J., and Martínez, M. R · 2020
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Paccmann: a web service for interpretable anticancer compound sensitivity prediction
Cadow, J., Born, J., Manica, M., Oskooei, A., and Rodríguez Martínez, M · 2020
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Target-specific and selective drug design for covid-19 using deep generative models
Chenthamarakshan, V., Das, P., Padhi, I., Strobelt, H., Lim, K. W., Hoover, B., Hoffman, S. C., and Mojsilovic, A · 2020
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A sars-cov-2 protein interaction map reveals targets for drug repurposing
Gordon, D. E., Jang, G. M., Bouhaddou, M., Xu, J., Obernier, K., White, K. M., O’Meara, M. J., Rezelj, V. V., Guo, J. Z., Swaney, D. L., et al · 2020
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Ai-aided design of novel targeted covalent inhibitors against sars-cov-2
Tang, B., He, F., Liu, D., Fang, M., Wu, Z., and Xu, D · 2020
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Remdesivir in adults with severe covid-19: a randomised, double-blind, placebo-controlled, multicentre trial
Wang, Y., Zhang, D., Du, G., Du, R., Zhao, J., Jin, Y., Fu, S., Gao, L., Cheng, Z., Lu, Q., et al · 2020
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Analysis of therapeutic targets for sars-cov-2 and discovery of potential drugs by computational methods
Wu, C., Liu, Y., Yang, Y., Zhang, P., Zhong, W., Wang, Y., Wang, Q., Xu, Y., Li, M., Li, X., et al · 2020
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