Cheminformatics Perturbation-Theory Machine Learning Laboratory
CHEM PTML
Universidad Central de Las Villas
Santa Clara, CubaPublicaciones en colaboración con investigadores/as de Universidad Central de Las Villas (57)
2021
-
Potentialities and applications of computational design methods in environmental and pharmacokinetic studies
Anales de la Academia de Ciencias de Cuba, Vol. 11, Núm. 1
2019
-
Perturbation Theory Machine Learning Modeling of Immunotoxicity for Drugs Targeting Inflammatory Cytokines and Study of the Antimicrobial G1 Using Cytometric Bead Arrays
Chemical Research in Toxicology, Vol. 32, Núm. 9, pp. 1811-1823
2014
-
Model for high-throughput screening of drug immunotoxicity - Study of the anti-microbial G1 over peritoneal macrophages using flow cytometry
European Journal of Medicinal Chemistry, Vol. 72, pp. 206-220
2013
-
Entropy model for multiplex drug-target interaction endpoints of drug immunotoxicity
Current Topics in Medicinal Chemistry, Vol. 13, Núm. 14, pp. 1636-1649
2012
-
ANN multiplexing model of drugs effect on macrophages; Theoretical and flow cytometry study on the cytotoxicity of the anti-microbial drug G1 in spleen
Bioorganic and Medicinal Chemistry, Vol. 20, Núm. 20, pp. 6181-6194
-
Immunotoxicity, flow cytometry, and chemoinformatics: Review, bibliometric analysis, and new QSAR model of drug effects over macrophages
Current Topics in Medicinal Chemistry, Vol. 12, Núm. 16, pp. 1815-1833
-
QSAR, Complex Networks, Principal Components and Partial Order Analysis of Drug Cardiotoxicity with Proteome Mass-Spectra Topological Indices
RECENT TRENDS ON QSAR IN THE PHARMACEUTICAL PERCEPTIONS (BENTHAM SCIENCE PUBL), pp. 3-50
2011
-
Markov Entropy Centrality: Chemical, Biological, Crime, and Legislative Networks
TOWARDS AN INFORMATION THEORY OF COMPLEX NETWORKS: STATISTICAL METHODS AND APPLICATIONS (BIRKHAUSER BOSTON), pp. 199-258
2010
-
Alignment-Free Models in Plant Genomics: Theoretical, Experimental, and Legal Issues
ADVANCES IN GENETICS RESEARCH, VOL 1 (NOVA SCIENCE PUBLISHERS, INC), pp. 79-127
-
Alignment-free models in plant genomics: Theoretical, experimental, and legal issues
Advances in Genetics Research (Nova Science Publishers, Inc.), pp. 79-127
-
QSAR for RNases and theoretic-experimental study of molecular diversity on peptide mass fingerprints of a new Leishmania infantum protein
Molecular Diversity, Vol. 14, Núm. 2, pp. 349-369
2009
-
Alignment-free prediction of mycobacterial DNA promoters based on pseudo-folding lattice network or star-graph topological indices
Journal of Theoretical Biology, Vol. 256, Núm. 3, pp. 458-466
-
Alignment-free prediction of polygalacturonases with pseudofolding topological indices: Experimental isolation from coffea arabica and prediction of a new sequence
Journal of Proteome Research, Vol. 8, Núm. 4, pp. 2122-2128
2008
-
3D-MEDNEs: An alternative "in silico" technique for chemical research in toxicology. 2. Quantitative proteome-toxicity relationships (QPTR) based on mass spectrum spiral entropy
Chemical Research in Toxicology, Vol. 21, Núm. 3, pp. 619-632
-
HP-Lattice QSAR for dynein proteins: Experimental proteomics (2D-electrophoresis, mass spectrometry) and theoretic study of a Leishmania infantum sequence
Bioorganic and Medicinal Chemistry, Vol. 16, Núm. 16, pp. 7770-7776
-
MMM-QSAR recognition of ribonucleases without alignment: Comparison with an HMM model and isolation from Schizosaccharomyces pombe, prediction, and experimental assay of a new sequence
Journal of Chemical Information and Modeling, Vol. 48, Núm. 2, pp. 434-448
-
Stochastic molecular descriptors for polymers. 4. Study of complex mixtures with topological indices of mass spectra spiral and star networks: The blood proteome case
Polymer, Vol. 49, Núm. 25, pp. 5575-5587
2007
-
ANN-QSAR model for selection of anticancer leads from structurally heterogeneous series of compounds
European Journal of Medicinal Chemistry, Vol. 42, Núm. 5, pp. 580-585
-
Chemometrics for QSAR with low sequence homology: Mycobacterial promoter sequences recognition with 2D-RNA entropies
Chemometrics and Intelligent Laboratory Systems, Vol. 85, Núm. 1, pp. 20-26
2006
-
3D-QSAR study for DNA cleavage proteins with a potential anti-tumor ATCUN-like motif
Journal of Inorganic Biochemistry, Vol. 100, Núm. 7, pp. 1290-1297