|
🦁
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Activity cliffs in drug discovery: Dr Jekyll or Mr Hyde?
M. Cruz-Monteagudo,
J. Medina-Franco,
Yunierkis Pérez-Castillo,
O. Nicolotti,
M. N. D. Cordeiro,
Fernanda Borges
|
7 |
2014 |
7
🦁
|
|
🦁
|
Computational chemistry development of a unified free energy Markov model for the distribution of 1300 chemicals to 38 different environmental or biological systems
8 auth.
M. Cruz-Monteagudo,
H. Díaz,
Guillermín Agüero-Chapín,
L. Santana,
Fernanda Borges,
Elena Rosa Domínguez,
...
G. Podda,
E. Uriarte
|
6 |
2007 |
6
🦁
|
|
🦁
|
Desirability‐based multiobjective optimization for global QSAR studies: Application to the design of novel NSAIDs with improved analgesic, antiinflammatory, and ulcerogenic profiles
M. Cruz-Monteagudo,
Fernanda Borges,
M. N. D. Cordeiro
|
5 |
2008 |
5
🦁
|
|
🦁
|
Computational chemistry approach for the early detection of drug‐induced idiosyncratic liver toxicity
M. Cruz-Monteagudo,
M. N. D. Cordeiro,
Fernanda Borges
|
5 |
2008 |
5
🦁
|
|
🐬
|
Predicting multiple drugs side effects with a general drug-target interaction thermodynamic Markov model.
H. González-Díaz,
M. Cruz-Monteagudo,
Reinaldo Molina,
E. Tenorio,
E. Uriarte
|
5 |
2005 |
5
🐬
|
|
🦁
|
Desirability-based methods of multiobjective optimization and ranking for global QSAR studies. Filtering safe and potent drug candidates from combinatorial libraries.
8 auth.
M. Cruz-Monteagudo,
Fernanda Borges,
M. N. D. Cordeiro,
J. Luis Cagide Fajin,
Carlos Morell,
Reinaldo Molina Ruiz,
...
Y. Cañizares-Carmenate,
Elena Rosa Domínguez
|
5 |
2008 |
5
🦁
|
|
🦁
|
3D-MEDNEs: an alternative "in silico" technique for chemical research in toxicology. 2. quantitative proteome-toxicity relationships (QPTR) based on mass spectrum spiral entropy.
M. Cruz-Monteagudo,
H. González-Díaz,
Fernanda Borges,
Elena Rosa Domínguez,
M. Cordeiro
|
5 |
2008 |
5
🦁
|
|
🐬
|
QSAR for anti-RNA-virus activity, synthesis, and assay of anti-RSV carbonucleosides given a unified representation of spectral moments, quadratic, and topologic indices.
H. González-Díaz,
M. Cruz-Monteagudo,
D. Viña,
L. Santana,
E. Uriarte,
E. De Clercq
|
5 |
2005 |
5
🐬
|
|
🦁
|
Efficient and biologically relevant consensus strategy for Parkinson’s disease gene prioritization
11 auth.
M. Cruz-Monteagudo,
M. Cruz-Monteagudo,
Fernanda Borges,
C. Paz-y-Miño,
M. N. D. Cordeiro,
I. Rebelo,
...
Yunierkis Pérez-Castillo,
Yunierkis Pérez-Castillo,
A. M. Helguera,
Aminael Sánchez-Rodríguez,
E. Tejera
|
4 |
2016 |
4
🦁
|
