Hongming Chen
Hongming Chen
Astrazeneca R&D Mölndal
Verified email at astrazeneca.com
Title
Cited by
Cited by
Year
The rise of deep learning in drug discovery
H Chen, O Engkvist, Y Wang, M Olivecrona, T Blaschke
Drug discovery today 23 (6), 1241-1250, 2018
4512018
Molecular de-novo design through deep reinforcement learning
M Olivecrona, T Blaschke, O Engkvist, H Chen
Journal of Cheminformatics 9, 48, 2017
2802017
On evaluating molecular-docking methods for pose prediction and enrichment factors
H Chen, PD Lyne, F Giordanetto, T Lovell, J Li
Journal of chemical information and modeling 46 (1), 401-415, 2006
2502006
Chemical predictive modelling to improve compound quality
JG Cumming, AM Davis, S Muresan, M Haeberlein, H Chen
Nature reviews Drug discovery 12 (12), 948-962, 2013
1732013
Application of Generative Autoencoder in De Novo Molecular Design
T Blaschke, M Olivecrona, O Engkvist, J Bajorath, H Chen
Molecular informatics 37 (1-2), 1700123, 2018
1502018
Beyond size, ionization state, and lipophilicity: influence of molecular topology on absorption, distribution, metabolism, excretion, and toxicity for druglike compounds
Y Yang, O Engkvist, A Llinàs, H Chen
Journal of medicinal chemistry 55 (8), 3667-3677, 2012
882012
PARM: a genetic evolved algorithm to predict bioactivity
H Chen, J Zhou, G Xie
Journal of Chemical Information and Computer Sciences 38 (2), 243-250, 1998
741998
BIGCHEM: challenges and opportunities for big data analysis in chemistry
IV Tetko, O Engkvist, U Koch, JL Reymond, H Chen
Molecular informatics 35 (11-12), 615-621, 2016
642016
On the integration of in silico drug design methods for drug repurposing
E March-Vila, L Pinzi, N Sturm, A Tinivella, O Engkvist, H Chen, G Rastelli
Frontiers in pharmacology 8, 298, 2017
632017
Mitigating the inhibition of human bile salt export pump by drugs: opportunities provided by physicochemical property modulation, in silico modeling, and structural modification
DJ Warner, H Chen, LD Cantin, JG Kenna, S Stahl, CL Walker, T Noeske
Drug Metabolism and Disposition 40 (12), 2332-2341, 2012
592012
ExCAPE-DB: an integrated large scale dataset facilitating Big Data analysis in chemogenomics
J Sun, N Jeliazkova, V Chupakhin, JF Golib-Dzib, O Engkvist, L Carlsson, ...
Journal of cheminformatics 9 (1), 17, 2017
542017
Investigation of the relationship between topology and selectivity for druglike molecules
Y Yang, H Chen, I Nilsson, S Muresan, O Engkvist
Journal of medicinal chemistry 53 (21), 7709-7714, 2010
522010
MraY–antibiotic complex reveals details of tunicamycin mode of action
JK Hakulinen, J Hering, G Brändén, H Chen, A Snijder, M Ek, ...
Nature chemical biology 13 (3), 265-267, 2017
482017
In silico prediction of unbound brain-to-plasma concentration ratio using machine learning algorithms
H Chen, S Winiwarter, M Fridén, M Antonsson, O Engkvist
Journal of Molecular Graphics and Modelling 29 (8), 985-995, 2011
482011
Exploring the GDB-13 chemical space using deep generative models
J Arús-Pous, T Blaschke, S Ulander, JL Reymond, H Chen, O Engkvist
Journal of cheminformatics 11 (1), 1-14, 2019
422019
Molecular sets (MOSES): a benchmarking platform for molecular generation models
D Polykovskiy, A Zhebrak, B Sanchez-Lengeling, S Golovanov, O Tatanov, ...
arXiv preprint arXiv:1811.12823, 2018
412018
Randomized SMILES Strings Improve the Quality of Molecular Generative Models
J Arús-Pous, S Johansson, O Ptykhodko, EJ Bjerrum, C Tyrchan, ...
https://chemrxiv.org/articles …, 2019
392019
Applying mondrian cross-conformal prediction to estimate prediction confidence on large imbalanced bioactivity data sets
J Sun, L Carlsson, E Ahlberg, U Norinder, O Engkvist, H Chen
Journal of chemical information and modeling 57 (7), 1591-1598, 2017
372017
A comparative analysis of the molecular topologies for drugs, clinical candidates, natural products, human metabolites and general bioactive compounds
H Chen, O Engkvist, N Blomberg, J Li
MedChemComm 3 (3), 312-321, 2012
322012
Beyond the scope of free-Wilson analysis: building interpretable QSAR models with machine learning algorithms
H Chen, L Carlsson, M Eriksson, P Varkonyi, U Norinder, I Nilsson
Journal of chemical information and modeling 53 (6), 1324-1336, 2013
302013
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Articles 1–20