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
A transformer model for retrosynthesis
P Karpov, G Godin, IV Tetko
International Conference on Artificial Neural Networks, 817-830, 2019
312019
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
Transformer-CNN: Swiss knife for QSAR modeling and interpretation
P Karpov, G Godin, IV Tetko
Journal of Cheminformatics 12 (1), 1-12, 2020
152020
“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
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
132020
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
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
62020
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 preprint arXiv:2003.02804, 2020
52020
Disorder-free localization in an interacting two-dimensional lattice gauge theory
P Karpov, R Verdel, YP Huang, M Schmitt, M Heyl
arXiv preprint arXiv:2003.04901, 2020
42020
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
42019
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
Neural network modeling of substituent constants on the basis of fragmental descriptors
MN Kurilo, PV Karpov, II Baskin, VA Palyulin, NS Zefirov
Doklady Chemistry 431 (1), 85-88, 2010
12010
Sistem, işlemi şu anda gerçekleştiremiyor. Daha sonra yeniden deneyin.
Makaleler 1–20