متابعة
Alexander Tropsha
Alexander Tropsha
Professor at UNC-Chapel Hill
بريد إلكتروني تم التحقق منه على unc.edu
عنوان
عدد مرات الاقتباسات
عدد مرات الاقتباسات
السنة
Beware of q2!‏
A Golbraikh, A Tropsha‏
Journal of molecular graphics and modelling 20 (4), 269-276, 2002‏
43852002
The importance of being earnest: validation is the absolute essential for successful application and interpretation of QSPR models‏
A Tropsha, P Gramatica, VK Gombar‏
QSAR & Combinatorial Science 22 (1), 69-77, 2003‏
26292003
QSAR modeling: where have you been? Where are you going to?‏
A Cherkasov, EN Muratov, D Fourches, A Varnek, II Baskin, M Cronin, ...‏
Journal of medicinal chemistry 57 (12), 4977-5010, 2014‏
20772014
Best practices for QSAR model development, validation, and exploitation‏
A Tropsha‏
Molecular informatics 29 (6‐7), 476-488, 2010‏
19802010
Deep reinforcement learning for de novo drug design‏
M Popova, O Isayev, A Tropsha‏
Science advances 4 (7), eaap7885, 2018‏
12792018
Trust, but verify: on the importance of chemical structure curation in cheminformatics and QSAR modeling research‏
D Fourches, E Muratov, A Tropsha‏
Journal of chemical information and modeling 50 (7), 1189, 2010‏
8552010
Rational selection of training and test sets for the development of validated QSAR models‏
A Golbraikh, M Shen, Z Xiao, YD Xiao, KH Lee, A Tropsha‏
Journal of computer-aided molecular design 17, 241-253, 2003‏
8192003
Predictive QSAR modeling based on diversity sampling of experimental datasets for the training and test set selection‏
A Golbraikh, A Tropsha‏
Molecular diversity 5, 231-243, 2000‏
7962000
QSAR without borders‏
EN Muratov, J Bajorath, RP Sheridan, IV Tetko, D Filimonov, V Poroikov, ...‏
Chemical Society Reviews 49 (11), 3525-3564, 2020‏
7452020
Beware of R2: Simple, Unambiguous Assessment of the Prediction Accuracy of QSAR and QSPR Models‏
DLJ Alexander, A Tropsha, DA Winkler‏
Journal of chemical information and modeling 55 (7), 1316-1322, 2015‏
7242015
Universal fragment descriptors for predicting properties of inorganic crystals‏
O Isayev, C Oses, C Toher, E Gossett, S Curtarolo, A Tropsha‏
Nature communications 8 (1), 15679, 2017‏
6612017
Chemical basis of interactions between engineered nanoparticles and biological systems‏
Q Mu, G Jiang, L Chen, H Zhou, D Fourches, A Tropsha, B Yan‏
Chemical reviews 114 (15), 7740-7781, 2014‏
6252014
Novel Variable Selection Quantitative Structure−Property Relationship Approach Based on the k-Nearest-Neighbor Principle‏
W Zheng, A Tropsha‏
Journal of chemical information and computer sciences 40 (1), 185-194, 2000‏
5762000
Predictive QSAR modeling workflow, model applicability domains, and virtual screening‏
A Tropsha, A Golbraikh‏
Current pharmaceutical design 13 (34), 3494-3504, 2007‏
5252007
Autoimmunity is triggered by cPR-3 (105–201), a protein complementary to human autoantigen proteinase-3‏
WF Pendergraft III, GA Preston, RR Shah, A Tropsha, CW Carter Jr, ...‏
Nature medicine 10 (1), 72-79, 2004‏
4722004
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
4632008
Quantitative nanostructure− activity relationship modeling‏
D Fourches, D Pu, C Tassa, R Weissleder, SY Shaw, RJ Mumper, ...‏
ACS nano 4 (10), 5703-5712, 2010‏
4162010
Cross-validated R2-guided region selection for comparative molecular field analysis: a simple method to achieve consistent results‏
SJ Cho, A Tropsha‏
Journal of medicinal chemistry 38 (7), 1060-1066, 1995‏
3671995
Comprehensive characterization of the published kinase inhibitor set‏
JM Elkins, V Fedele, M Szklarz, KR Abdul Azeez, E Salah, J Mikolajczyk, ...‏
Nature biotechnology 34 (1), 95-103, 2016‏
3522016
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
3452008
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مقالات 1–20