|
🐢
|
Beware of q2!
A. Golbraikh,
A. Tropsha
|
11 |
2002 |
11
🐢
|
|
🦁
|
The Importance of Being Earnest: Validation is the Absolute Essential for Successful Application and Interpretation of QSPR Models
A. Tropsha,
P. Gramatica,
V. Gombar
|
10 |
2003 |
10
🦁
|
|
🦁
|
Best Practices for QSAR Model Development, Validation, and Exploitation
A. Tropsha
|
10 |
2010 |
10
🦁
|
|
🐢
|
QSAR modeling: where have you been? Where are you going to?
20 auth.
A. Cherkasov,
E. Muratov,
D. Fourches,
A. Varnek,
I. Baskin,
M. Cronin,
J. Dearden,
P. Gramatica,
Y. Martin,
R. Todeschini,
...
V. Consonni,
V. Kuz'min,
R. Cramer,
R. Benigni,
Chihae Yang,
J. Rathman,
L. Terfloth,
J. Gasteiger,
A. Richard,
A. Tropsha
|
10 |
2014 |
10
🐢
|
|
🐢
|
Trust, But Verify: On the Importance of Chemical Structure Curation in Cheminformatics and QSAR Modeling Research
D. Fourches,
E. Muratov,
A. Tropsha
|
9 |
2010 |
9
🐢
|
|
🐢
|
Rational selection of training and test sets for the development of validated QSAR models
A. Golbraikh,
Min Shen,
Zhiyan Xiao,
Yunde Xiao,
K. Lee,
A. Tropsha
|
9 |
2003 |
9
🐢
|
|
🐬
|
Beware of R2: Simple, Unambiguous Assessment of the Prediction Accuracy of QSAR and QSPR Models
D. Alexander,
A. Tropsha,
D. Winkler
|
9 |
2015 |
9
🐬
|
|
🐢
|
Universal fragment descriptors for predicting properties of inorganic crystals
O. Isayev,
C. Oses,
C. Toher,
Eric Gossett,
S. Curtarolo,
A. Tropsha
|
9 |
2016 |
9
🐢
|
|
🐜
|
Chemical basis of interactions between engineered nanoparticles and biological systems.
7 auth.
Qingxin Mu,
G. Jiang,
Lingxin Chen,
Hongyu Zhou,
D. Fourches,
A. Tropsha,
...
B. Yan
|
8 |
2014 |
8
🐜
|
|
🐢
|
Beware of q 2
A. Golbraikh,
A. Tropsha
|
8 |
2002 |
8
🐢
|
|
🐢
|
Novel Variable Selection Quantitative Structure-Property Relationship Approach Based on the k-Nearest-Neighbor Principle
Weifan Zheng,
A. Tropsha
|
8 |
2000 |
8
🐢
|
|
🐢
|
QSAR without borders.
19 auth.
E. Muratov,
J. Bajorath,
R. Sheridan,
I. Tetko,
D. Filimonov,
V. Poroikov,
Tudor I. Oprea,
I. Baskin,
A. Varnek,
A. Roitberg,
...
O. Isayev,
Stefano Curtalolo,
D. Fourches,
Y. Cohen,
Alán Aspuru-Guzik,
D. Winkler,
D. Agrafiotis,
A. Cherkasov,
A. Tropsha
|
8 |
2020 |
8
🐢
|
|
🦁
|
Predictive QSAR modeling workflow, model applicability domains, and virtual screening.
A. Tropsha,
A. Golbraikh
|
8 |
2007 |
8
🦁
|
