Các bài viết có thể truy cập công khai - Igor V. TetkoTìm hiểu thêm
Không có ở bất kỳ nơi nào: 3
Prediction of logP for Pt (II) and Pt (IV) complexes: comparison of statistical and quantum-chemistry based approaches
IV Tetko, HP Varbanov, MS Galanski, M Talmaciu, JA Platts, M Ravera, ...
Journal of inorganic biochemistry 156, 1-13, 2016
Các cơ quan ủy nhiệm: Austrian Science Fund
Highly accurate filters to flag frequent hitters in AlphaScreen assays by suggesting their mechanism
D Ghosh, U Koch, K Hadian, M Sattler, IV Tetko
Molecular Informatics 41 (3), 2100151, 2022
Các cơ quan ủy nhiệm: European Commission
Determination of chaotic attractors in short discrete time series
A Celletti, C Froeschlé, IV Tetko, AEP Villa
The Restless Universe Applications of Gravitational N-Body Dynamics to …, 2019
Các cơ quan ủy nhiệm: Swiss National Science Foundation
Có tại một số nơi: 55
QSAR without borders
EN Muratov, J Bajorath, RP Sheridan, IV Tetko, D Filimonov, V Poroikov, ...
Chemical Society Reviews 49 (11), 3525-3564, 2020
Các cơ quan ủy nhiệm: US National Science Foundation, US Department of Defense, US National …
Critical Assessment of QSAR Models of Environmental Toxicity against Tetrahymena pyriformis: Focusing on Applicability Domain and Overfitting by Variable …
IV Tetko, I Sushko, AK Pandey, H Zhu, A Tropsha, E Papa, T Oberg, ...
Journal of chemical information and modeling 48 (9), 1733-1746, 2008
Các cơ quan ủy nhiệm: US National Institutes of Health
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), 5575, 2020
Các cơ quan ủy nhiệm: European Commission, Federal Ministry of Education and Research, Germany
CERAPP: collaborative estrogen receptor activity prediction project
K Mansouri, A Abdelaziz, A Rybacka, A Roncaglioni, A Tropsha, A Varnek, ...
Environmental health perspectives 124 (7), 1023-1033, 2016
Các cơ quan ủy nhiệm: US National Institutes of Health
Combinatorial QSAR modeling of chemical toxicants tested against Tetrahymena pyriformis
H Zhu, A Tropsha, D Fourches, A Varnek, E Papa, P Gramatica, T Oberg, ...
Journal of chemical information and modeling 48 (4), 766-784, 2008
Các cơ quan ủy nhiệm: US National Institutes of Health
Applicability domains for classification problems: benchmarking of distance to models for Ames mutagenicity set
I Sushko, S Novotarskyi, R Körner, AK Pandey, A Cherkasov, J Li, ...
Journal of chemical information and modeling 50 (12), 2094-2111, 2010
Các cơ quan ủy nhiệm: US National Institutes of Health
Transformer-CNN: Swiss knife for QSAR modeling and interpretation
P Karpov, G Godin, IV Tetko
Journal of Cheminformatics 12 (1), 1-12, 2020
Các cơ quan ủy nhiệm: European Commission, Federal Ministry of Education and Research, Germany
CoMPARA: collaborative modeling project for androgen receptor activity
K Mansouri, N Kleinstreuer, AM Abdelaziz, D Alberga, VM Alves, ...
Environmental Health Perspectives 128 (2), 027002, 2020
Các cơ quan ủy nhiệm: US Department of Energy, US National Institutes of Health, Federal Ministry …
A transformer model for retrosynthesis
P Karpov, G Godin, IV Tetko
International conference on artificial neural networks, 817-830, 2019
Các cơ quan ủy nhiệm: European Commission, Federal Ministry of Education and Research, Germany
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
Các cơ quan ủy nhiệm: European Commission
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
Các cơ quan ủy nhiệm: US Department of Energy, US National Institutes of Health
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
Các cơ quan ủy nhiệm: European Commission
Chemical space exploration guided by deep neural networks
DS Karlov, S Sosnin, IV Tetko, MV Fedorov
RSC advances 9 (9), 5151-5157, 2019
Các cơ quan ủy nhiệm: Federal Ministry of Education and Research, Germany
Augmentation is what you need!
IV Tetko, P Karpov, E Bruno, TB Kimber, G Godin
International Conference on Artificial Neural Networks, 831-835, 2019
Các cơ quan ủy nhiệm: European Commission, Federal Ministry of Education and Research, Germany
Trade-off predictivity and explainability for machine-learning powered predictive toxicology: an in-depth investigation with Tox21 data sets
L Wu, R Huang, IV Tetko, Z Xia, J Xu, W Tong
Chemical research in toxicology 34 (2), 541-549, 2021
Các cơ quan ủy nhiệm: US National Institutes of Health
QSAR-derived affinity fingerprints (part 1): fingerprint construction and modeling performance for similarity searching, bioactivity classification and scaffold hopping
C Škuta, I Cortés-Ciriano, W Dehaen, P Kříž, GJP van Westen, IV Tetko, ...
Journal of Cheminformatics 12 (1), 39, 2020
Các cơ quan ủy nhiệm: European Commission
Public (Q) SAR services, integrated modeling environments, and model repositories on the web: state of the art and perspectives for future development
IV Tetko, U Maran, A Tropsha
Molecular Informatics 36 (3), 1600082, 2017
Các cơ quan ủy nhiệm: US National Institutes of Health
Chương trình máy tính sẽ tự động xác định thông tin xuất bản và thông tin về nhà tài trợ