Pavel Karpov
Pavel Karpov
Postdoc, Helmholtz-Zentrum Muenchen, Institute of Structural Biology
helmholtz-muenchen.de üzerinde doğrulanmış e-posta adresine sahip
Başlık
Alıntı yapanlar
Alıntı yapanlar
Yıl
State-of-the-art augmented NLP transformer models for direct and single-step retrosynthesis
IV Tetko, P Karpov, R Van Deursen, G Godin
Nature communications 11 (1), 1-11, 2020
312020
A transformer model for retrosynthesis
P Karpov, G Godin, IV Tetko
International Conference on Artificial Neural Networks, 817-830, 2019
312019
Transformer-CNN: Swiss knife for QSAR modeling and interpretation
P Karpov, G Godin, IV Tetko
Journal of Cheminformatics 12 (1), 1-12, 2020
282020
One-class classification as a novel method of ligand-based virtual screening: The case of glycogen synthase kinase 3β inhibitors
PV Karpov, DI Osolodkin, II Baskin, VA Palyulin, NS Zefirov
Bioorganic & medicinal chemistry letters 21 (22), 6728-6731, 2011
272011
Prediction of rate constants of SN 2 reactions by the multicomponent QSPR method
AA Kravtsov, PV Karpov, II Baskin, VA Palyulin, NS Zefirov
Doklady Chemistry 440 (2), 299, 2011
182011
A survey of multi‐task learning methods in chemoinformatics
S Sosnin, M Vashurina, M Withnall, P Karpov, M Fedorov, IV Tetko
Molecular informatics 38 (4), 1800108, 2019
172019
“Bimolecular” QSPR: Estimation of the solvation free energy of organic molecules in different solvents
AA Kravtsov, PV Karpov, II Baskin, VA Palyulin, NS Zefirov
Doklady Chemistry 414 (1), 128-131, 2007
152007
Prediction of the preferable mechanism of nucleophilic substitution at saturated carbon atom and prognosis of SN 1 rate constants by means of QSPR
AA Kravtsov, PV Karpov, II Baskin, VA Palyulin, NS Zefirov
Doklady Chemistry 441 (1), 314-317, 2011
142011
Disorder-free localization in an interacting 2d lattice gauge theory
P Karpov, R Verdel, YP Huang, M Schmitt, M Heyl
Physical Review Letters 126 (13), 130401, 2021
92021
One-class approach: models for virtual screening of non-nucleoside HIV-1 reverse transcriptase inhibitors based on the concept of continuous molecular fields
PV Karpov, II Baskin, NI Zhokhova, MB Nawrozkij, AN Zefirov, ...
Russian Chemical Bulletin 60 (11), 2418-2424, 2011
92011
Virtual screening based on one-class classification
PV Karpov, II Baskin, VA Palyulin, NS Zefirov
Doklady Chemistry 437 (2), 107-111, 2011
92011
Augmentation Is What You Need!
IV Tetko, P Karpov, E Bruno, TB Kimber, G Godin
International Conference on Artificial Neural Networks, 831-835, 2019
82019
Prokineticin receptor-1 signaling inhibits dose-and time-dependent anthracycline-induced cardiovascular toxicity via myocardial and vascular protection
A Gasser, YW Chen, A Audebrand, A Daglayan, M Charavin, B Escoubet, ...
Cardio Oncology 1 (1), 84-102, 2019
82019
Method of continuous molecular fields in the one-class classification task
PV Karpov, II Baskin, NI Zhokhova, NS Zefirov
Doklady Chemistry 440 (2), 263, 2011
82011
Augmented transformer achieves 97% and 85% for top5 prediction of direct and classical retro-synthesis
IV Tetko, P Karpov, R Van Deursen, G Godin
arXiv e-prints, arXiv: 2003.02804, 2020
62020
Focused library generator: case of Mdmx inhibitors
Z Xia, P Karpov, G Popowicz, IV Tetko
Journal of computer-aided molecular design 34 (7), 769-782, 2020
52020
CATMoS: Collaborative acute toxicity modeling suite
K Mansouri, AL Karmaus, J Fitzpatrick, G Patlewicz, P Pradeep, D Alberga, ...
Environmental health perspectives 129 (4), 047013, 2021
32021
Artificial Neural Networks and Machine Learning–ICANN 2019: Deep Learning: 28th International Conference on Artificial Neural Networks, Munich, Germany, September 17–19, 2019 …
IV Tetko, V Kůrková, P Karpov, F Theis
Springer Nature, 2019
32019
Molecular design of selective ligands of chemokine receptors
MN Kurilo, FV Ryzhkov, PV Karpov, EV Radchenko, VA Palyulin, ...
Doklady. Biochemistry and biophysics 461 (1), 131, 2015
32015
Transformer-CNN: Fast and Reliable tool for QSAR
P Karpov, G Godin, IV Tetko
arXiv preprint arXiv:1911.06603, 2019
22019
Sistem, işlemi şu anda gerçekleştiremiyor. Daha sonra yeniden deneyin.
Makaleler 1–20