Research graph
References from AnoChem: Prediction of chemical structural abnormalities based on machine learning models. Local targets link to admitted publications; unresolved targets remain external evidence.
10.1016/j.apsb.2022.02.002
10.1016/j.apsb.2022.02.002 · External reference
10.1007/s10462-021-10058-4
10.1007/s10462-021-10058-4 · External reference
10.1021/acscentsci.7b00572
10.1021/acscentsci.7b00572 · External reference
Junction tree variational autoencoder for molecular graph generation
2018 · External reference
10.1021/acs.molpharmaceut.8b00839
10.1021/acs.molpharmaceut.8b00839 · External reference
De novo generation of hit-like molecules from gene expression signatures using artificial intelligence
10.1038/s41467-019-13807-w · 2020 · External reference
A de novo molecular generation method using latent vector based generative adversarial network
10.1186/s13321-019-0397-9 · 2019 · External reference
10.1016/j.drudis.2021.05.019
10.1016/j.drudis.2021.05.019 · External reference
10.1039/d0ra07820d
10.1039/d0ra07820d · External reference
Molecular sets (MOSES): a benchmarking platform for molecular generation models
10.3389/fphar.2020.565644 · 2020 · External reference
10.1038/s41573-019-0024-5
10.1038/s41573-019-0024-5 · External reference
10.1038/s41587-019-0224-x
10.1038/s41587-019-0224-x · External reference
10.1038/nchem.1243
10.1038/nchem.1243 · External reference
Estimation of synthetic accessibility score of drug-like molecules based on molecular complexity and fragment contributions
10.1186/1758-2946-1-8 · 2009 · External reference
10.1021/acs.jcim.8b00234
10.1021/acs.jcim.8b00234 · External reference
What do we know and when do we know it?
10.1007/s10822-008-9170-2 · 2008 · External reference
10.1093/nar/gky1075
10.1093/nar/gky1075 · External reference
10.1021/acs.jcim.0c00675
10.1021/acs.jcim.0c00675 · External reference
10.1021/ci100050t
10.1021/ci100050t · External reference
10.1038/s41592-019-0686-2
10.1038/s41592-019-0686-2 · External reference
Unresolved reference
External reference
Unresolved reference
External reference
Sequence tutor: conservative fine-tuning of sequence generation models with kl-control
2017 · External reference
Confidence limits, error bars and method comparison in molecular modeling. Part 2: comparing methods
10.1007/s10822-016-9904-5 · 2016 · External reference
10.1021/acscentsci.7b00512
10.1021/acscentsci.7b00512 · External reference
