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Molecular Informatics|September 8, 2022
Computer-aided Evaluation of Polyvalent Medications' Pharmacological Potential. Multiphytoadaptogen as a Case StudyO A Bocharova, N S Ionov, I V Kazeev, et al.
Molecular Informatics|August 2, 2016
From Hansch-Fujita Analysis to AFMoC: A Road to Structure-Based QSARChristoph G W Gertzen, Holger Gohlke
Molecular Informatics|August 2, 2016
An Investigation of the Relationship Between Molecular Topology and CYP3A4 Inhibition for Drug-like CompoundsRurika Oka, Ola Engkvist, Hongming Chen
Molecular Informatics|August 2, 2016
Construction and Consensus Performance of (Q)SAR Models for Predicting Phospholipidosis Using a Dataset of 743 CompoundsAmabel M Orogo, Sydney S Choi, Barbara L Minnier, et al.
Molecular Informatics|August 2, 2016
Identifying Activity Cliff Generators of PPAR Ligands Using SAS MapsOscar Méndez-Lucio, Jaime Pérez-Villanueva, Rafael Castillo, et al.
Molecular Informatics|August 2, 2016
Automatic Perception of Chemical Similarities Between Metabolic PathwaysDiogo A R S Latino, João Aires-de-Sousa
Molecular Informatics|August 2, 2016
QSPR Prediction of Lipophilicity for Organic Compounds Using Random Forest Technique on the Basis of Simplex Representation of Molecular StructureLiudmyla N Ognichenko, Victor E Kuz'min, Leonid Gorb, et al.
Molecular Informatics|August 2, 2016
Molecular Modelling of G Protein-Coupled Receptors Through the WebDavid Rodríguez, Xabier Bello, Hugo Gutiérrez-de-Terán
Molecular Informatics|August 2, 2016
Fingerprint Kernels for Protein Structure ComparisonThomas Fober, Marco Mernberger, Gerhard Klebe, et al.
Molecular Informatics|August 2, 2016
QSAR, QSPR and QSRR in Terms of 3-D-MoRSE Descriptors for In Silico Screening of Clofibric Acid AnaloguesMaurizio Di Tullio, Cristina Maccallini, Alessandra Ammazzalorso, et al.
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