about
Examining the predictive accuracy of the novel 3D N-linear algebraic molecular codifications on benchmark datasetsGlobal stability of protein folding from an empirical free energy function.Derivatives in discrete mathematics: a novel graph-theoretical invariant for generating new 2/3D molecular descriptors. I. Theory and QSPR application.Non-stochastic quadratic fingerprints and LDA-based QSAR models in hit and lead generation through virtual screening: theoretical and experimental assessment of a promising method for the discovery of new antimalarial compounds.Relational Agreement Measures for Similarity Searching of Cheminformatic Data Sets.Towards Better BBB Passage Prediction Using an Extensive and Curated Data Set.3D-chiral atom, atom-type, and total non-stochastic and stochastic molecular linear indices and their applications to central chirality codification.Atom-based 3D-chiral quadratic indices. Part 2: prediction of the corticosteroid-binding globulinbinding affinity of the 31 benchmark steroids data set.Atom-based stochastic and non-stochastic 3D-chiral bilinear indices and their applications to central chirality codification.Applying pattern recognition methods plus quantum and physico-chemical molecular descriptors to analyze the anabolic activity of structurally diverse steroids.Bond-based 3D-chiral linear indices: theory and QSAR applications to central chirality codification.Bond-based linear indices in QSAR: computational discovery of novel anti-trichomonal compounds.Atom- and bond-based 2D TOMOCOMD-CARDD approach and ligand-based virtual screening for the drug discovery of new tyrosinase inhibitors.Discovery of novel anti-inflammatory drug-like compounds by aligning in silico and in vivo screening: the nitroindazolinone chemotype.Comparison of combinatorial clustering methods on pharmacological data sets represented by machine learning-selected real molecular descriptors.Vanilloid derivatives as tyrosinase inhibitors driven by virtual screening-based QSAR models.Dunn's index for cluster tendency assessment of pharmacological data sets.ProtDCal: A program to compute general-purpose-numerical descriptors for sequences and 3D-structures of proteins.Antiprotozoan lead discovery by aligning dry and wet screening: prediction, synthesis, and biological assay of novel quinoxalinones.QuBiLS-MIDAS: a parallel free-software for molecular descriptors computation based on multilinear algebraic maps.A sequential procedure for rapid and accurate identification of putative trichomonacidal agents.IMMAN: free software for information theory-based chemometric analysis.Estimation of ADME properties in drug discovery: predicting Caco-2 cell permeability using atom-based stochastic and non-stochastic linear indices.Ligand-based computer-aided discovery of tyrosinase inhibitors. Applications of the TOMOCOMD-CARDD method to the elucidation of new compounds.A review of QSAR studies to discover new drug-like compounds actives against leishmaniasis and trypanosomiasis.Trends in information theory-based chemical structure codification.A new type of quinoxalinone derivatives affects viability, invasion, and intracellular growth of Toxoplasma gondii tachyzoites in vitro.Ligand-based virtual screening and in silico design of new antimalarial compounds using nonstochastic and stochastic total and atom-type quadratic maps.Identification in silico and in vitro of novel trypanosomicidal drug-like compounds.Discrete Derivatives for Atom-Pairs as a Novel Graph-Theoretical Invariant for Generating New Molecular Descriptors: Orthogonality, Interpretation and QSARs/QSPRs on Benchmark Databases.A Comparative Study of Nonlinear Machine Learning for the "In Silico" Depiction of Tyrosinase Inhibitory Activity from Molecular Structure.Anabolic and androgenic activities of 19-nor-testosterone steroids: QSAR study using quantum and physicochemical molecular descriptors.QuBiLs-MAS method in early drug discovery and rational drug identification of antifungal agents.Bond-based bilinear indices for computational discovery of novel trypanosomicidal drug-like compounds through virtual screening.Overlap and diversity in antimicrobial peptide databases: compiling a non-redundant set of sequences.Multi-output model with Box-Jenkins operators of linear indices to predict multi-target inhibitors of ubiquitin-proteasome pathway.Bond-based 2D quadratic fingerprints in QSAR studies: virtual and in vitro tyrosinase inhibitory activity elucidation.TOMOCOMD-CAMPS and protein bilinear indices--novel bio-macromolecular descriptors for protein research: I. Predicting protein stability effects of a complete set of alanine substitutions in the Arc repressor.QuBiLS-MAS, open source multi-platform software for atom- and bond-based topological (2D) and chiral (2.5D) algebraic molecular descriptors computations.Bond-based linear indices of the non-stochastic and stochastic edge-adjacency matrix. 1. Theory and modeling of ChemPhys properties of organic molecules.
P50
Q27902348-D518FE9F-908B-465C-889D-B19FFF7C05D4Q30425839-8362802A-E92D-4DB9-9337-E2AB33B0E5DDQ30576048-ADE60EEF-88E5-4F3B-B985-A9B81085AD3CQ31034628-7B76DF76-F0BC-4D1A-A642-D7E1107357B4Q31046964-11A38B19-EE87-4F38-B3C0-AD5EF6517C3AQ31119557-C87024C9-2827-42E1-91AC-7459BB608745Q33225366-E3C35E83-3BC6-49E3-B6CA-2765E3BAA94DQ33228412-C34A4AA6-E0A6-4ADF-A645-CA741929B232Q33263832-1467AED0-6530-45AB-B398-B7A8EDBA77FDQ33291180-B3762540-6FBF-45AE-8BA7-854AEFA78ADDQ33333588-5F9387D0-D15C-4D86-B687-B1ED30B8DA94Q33335184-00093165-90F4-4287-8F39-AA5E8FD8CF6CQ33385063-691B8116-C4A4-402E-9AA3-23065DBC74CCQ34048491-39328EDE-6213-41FF-9B95-736B97D03066Q34078339-1A76DC03-9DE0-4988-9328-27EF9290DA1FQ34153002-5A68867D-DCCA-4C06-B43E-5D731635B470Q34207333-ABB31497-EC99-4D17-B381-7D1E8EA7A1CCQ34476736-68DFF952-ABA3-4CFA-AFBE-D92B9DC14F76Q35090053-3CCEAFB0-B439-4264-A3A6-4B01B7BBF174Q35180116-B3F81652-120C-4116-AF50-553D96155E77Q35222181-912946E3-4CD9-49AD-A43A-75530D24CA90Q35549047-4F641B8D-AE78-4786-9038-BC327C349C2BQ36921309-D0ACECC3-2053-4248-93F4-AD4DC529046EQ37774005-01175D43-02D9-44B4-8FE5-D64231F10C5AQ37986863-9908EA0A-D13A-4D41-811D-DB9370633DF8Q38202558-9D629B9B-5DA6-4251-884F-E11D4337092DQ38793312-2591A80B-DCE3-4CD1-B7CE-952E39B46FC2Q39217164-42595DE8-1D7A-41E1-9E02-946E8F04974FQ39382508-37FB6F69-7C79-4862-92EC-5ED11C5B0A91Q39530965-830C2FB6-8F37-4FA6-9E72-39D14C72458EQ39551024-FA3C31C7-D94A-4010-B2EB-88F980C696D8Q39757809-F06FF52A-8675-46F2-AD6E-6AF805C1A90CQ40909805-AB66FA18-E9CA-4430-BD9E-FD944FC32586Q41058669-6AA1EC56-EF2F-4468-84B2-232F29E606BBQ41145077-B1B30315-F839-45BE-B228-9C157DE80D3BQ41261562-055DAF5A-6582-4A55-B73A-497AC7297E5FQ42851539-1EF5384C-D9B8-496A-99FB-55D556D91350Q43003249-76A7A67F-B894-4F67-936F-F9AF4D83386FQ43017707-B4C1F9D9-CEF9-42D3-828E-A70D2C0D1A31Q43197978-500CF7D7-3A2C-464B-9777-8985665DF749
P50
description
hulumtues
@sq
researcher
@en
wetenschapper
@nl
հետազոտող
@hy
name
Yovani Marrero-Ponce
@ast
Yovani Marrero-Ponce
@en
Yovani Marrero-Ponce
@es
Yovani Marrero-Ponce
@nl
Yovani Marrero-Ponce
@sl
type
label
Yovani Marrero-Ponce
@ast
Yovani Marrero-Ponce
@en
Yovani Marrero-Ponce
@es
Yovani Marrero-Ponce
@nl
Yovani Marrero-Ponce
@sl
prefLabel
Yovani Marrero-Ponce
@ast
Yovani Marrero-Ponce
@en
Yovani Marrero-Ponce
@es
Yovani Marrero-Ponce
@nl
Yovani Marrero-Ponce
@sl
P1053
H-5724-2011
P106
P1153
55665599200
P21
P2456
P2798
P31
P3829
P496
0000-0003-2721-1142