Search Result "Combinatorial perturbation theory models"


Research Article

Predicting Metabolic Reaction Networks with Perturbation-Theory Machine Learning (PTML) Models

Journal: Current Topics in Medicinal Chemistry
Volume: 21 Issue: 9 Year: 2021 Page: 819-827
Author(s): Karel Diéguez-Santana,Gerardo M. Casañola-Martin,James R. Green,Bakhtiyor Rasulev,Humberto González-Díaz

General Theory for Multiple Input-Output Perturbations in Complex Molecular Systems. 1. Linear QSPR Electronegativity Models in Physical, Organic, and Medicinal Chemistry

Journal: Current Topics in Medicinal Chemistry
Volume: 13 Issue: 1 Year: 2013 Page: 1713-1741
Author(s): Humberto Gonzalez-Diaz, Sonia Arrasate, Asier Gomez-SanJuan, Nuria Sotomayor, Esther Lete, Lina Besada-Porto, Juan M. Ruso

Review Article

Machine Learning and Perturbation Theory Machine Learning (PTML) in Medicinal Chemistry, Biotechnology, and Nanotechnology

Journal: Current Topics in Medicinal Chemistry
Volume: 21 Issue: 7 Year: 2021 Page: 649-660
Author(s): Diana M. Herrera-Ibatá

The Impact of Combinatorial Methodologies on Medicinal Chemistry

Journal: Current Topics in Medicinal Chemistry
Volume: 4 Issue: 7 Year: 2004 Page: 653-669
Author(s): Rosario M. Sanchez-Martin, Stifun Mittoo, Mark Bradley

Combinatorial Saturation Mutagenesis of the Myceliophthora thermophila Laccase T2 Mutant: the Connection between the C-Terminal Plug and the Conserved VSG Tripeptide

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 11 Issue: 1 Year: 2008 Page: 807-816
Author(s): Miren Zumarraga, Cristina Vaz Dominguez, Susana Camarero, Sergey Shleev, Julio Polaina, Arturo Martinez-Arias, Manuel Ferrer, Antonio L. De Lacey, Victor M. Fernandez, Antonio Ballesteros, Francisco J. Plou, Miguel Alcalde

Predictive QSAR Modeling Workflow, Model Applicability Domains, and Virtual Screening

Journal: Current Pharmaceutical Design
Volume: 13 Issue: 3 Year: 2007 Page: 3494-3504
Author(s): Alexander Tropsha, Alexander Golbraikh

Inhibitors of HIV-Protease from Computational Design. A History of Theory and Synthesis Still to be Fully Appreciated

Journal: Current Pharmaceutical Design
Volume: 20 Issue: 2 Year: 2014 Page: 3398-3411
Author(s): Federico Berti, Vladimir Frecer, Stanislav Miertus

Computational and Experimental Approaches for Modeling Gene Regulatory Networks

Journal: Current Pharmaceutical Design
Volume: 13 Issue: 1 Year: 2007 Page: 1415-1436
Author(s): J. Goutsias, N. H. Lee

Elucidating Allosteric Communications in Proteins via Computational Methods

Ebook: Frontiers in Computational Chemistry
Volume: 3 Year: 2017
Author(s): Burak Alakent,Z. Nevin Gerek Ince

Network Insights into the Genes Regulated by Hepatocyte Nuclear Factor 4 in Response to Drug Induced Perturbations: A Review

Journal: Current Drug Discovery Technologies
Volume: 10 Issue: 2 Year: 2013 Page: 147-154
Author(s): Asfar S. Azmi, Ginny W. Bao, Jiankun Gao, Ramzi M. Mohammad, Fazlul H. Sarkar

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