Abstract
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Upasna Srivastava, Manish Kumar Gupta, Swarna Kanchan, Minu Kesheri, Destiny Sumani, P.M. Mahitha
Abstract
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Provenance
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10.1002/jcc.21334 · doi-reference
Planning chemical syntheses with deep neural networks and symbolic AI
10.1038/nature25978 · doi-reference
Automating drug discovery
10.1038/nrd.2017.232 · doi-reference
Molecular de-novo design through deep reinforcement learning
10.1186/s13321-017-0235-x · doi-reference
Japanese guidelines for adult asthma 2020
10.1016/j.alit.2020.08.001 · doi-reference
Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings
10.1016/s0169-409x(00)00129-0 · doi-reference
Sequence-level knowledge distillation
10.18653/v1/d16-1139 · doi-reference
druGAN: an advanced generative adversarial autoencoder model for de novo generation of new molecules with desired molecular properties in silico
10.1021/acs.molpharmaceut.7b00346 · doi-reference
Highly accurate protein structure prediction with AlphaFold
10.1038/s41586-021-03819-2 · doi-reference
The many roles of computation in drug discovery
10.1126/science.1096361 · doi-reference
Ligand efficiency: a useful metric for lead selection
10.1016/s1359-6446(04)03069-7 · doi-reference
Deep learning in drug discovery
10.1002/minf.201501008 · doi-reference
The ChEMBL database in 2017
10.1093/nar/gkw1074 · doi-reference
SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules
10.1038/srep42717 · doi-reference
The rise of deep learning in drug discovery
10.1016/j.drudis.2018.01.039 · doi-reference
Variational quantum algorithms
10.1038/s42254-021-00348-9 · doi-reference
Ligand docking and structure-based virtual screening in drug discovery
10.2174/156802607780906753 · doi-reference
Quantum machine learning
10.1038/nature23474 · doi-reference
The process of structure-based drug design
10.1016/j.chembiol.2003.09.002 · doi-reference
Deep learning applications for predicting pharmacological properties of drugs and drug repurposing using transcriptomic data
10.1021/acs.molpharmaceut.6b00248 · doi-reference
The power of quantum neural networks
10.1038/s43588-021-00084-1 · doi-reference