List of works - Orazio Nicolotti

(Hetero-)(arylidene)arylhydrazides as Multitarget-Directed Monoamine Oxidase Inhibitors

scientific article published on 13 October 2020

1,3-Dialkyl-8-(hetero)aryl-9-OH-9-deazaxanthines as potent A2B adenosine receptor antagonists: design, synthesis, structure-affinity and structure-selectivity relationships

scientific article

1,3-dialkyl-8-N-substituted benzyloxycarbonylamino-9-deazaxanthines as potent adenosine receptor ligands: Design, synthesis, structure-affinity and structure-selectivity relationships.

scientific article published on 5 April 2009

8-Substituted-9-deazaxanthines as adenosine receptor ligands: design, synthesis and structure-affinity relationships at A2B.

scientific article

A New Approach for Drug Target and Bioactivity Prediction: The Multifingerprint Similarity Search Algorithm (MuSSeL)

scientific article published on 14 December 2018

A Round Trip from Medicinal Chemistry to Predictive Toxicology

scientific article published on January 2016

A chemocentric approach to the identification of cancer targets

scientific article

A generalizable definition of chemical similarity for read-across

scientific article (publication date: December 2014)

A k-NN algorithm for predicting the oral sub-chronic toxicity in the rat.

scientific article published on 10 July 2014

A new gating site in human aquaporin-4: Insights from molecular dynamics simulations

article

A novel KCNA1 mutation in a patient with paroxysmal ataxia, myokymia, painful contractures and metabolic dysfunctions.

scientific article

A rational approach to elucidate human monoamine oxidase molecular selectivity

scientific article published on 7 February 2017

Accelerating Drug Discovery by Early Protein Drug Target Prediction Based on a Multi-Fingerprint Similarity Search

scientific article published on 14 June 2019

Activation of Rho Family GTPases by Small Molecules.

scientific article

Activity cliffs in drug discovery: Dr Jekyll or Mr Hyde?

scientific article published on 20 February 2014

Alpha2-Adrenergic Receptors in Intestinal Epithelial Cells: Mechanisms of Signaling, Role, and Regulation

An alternative QSAR-based approach for predicting the bioconcentration factor for regulatory purposes

scientific article published on 13 November 2013

An integrated approach to ligand- and structure-based drug design: development and application to a series of serine protease inhibitors

scientific article published on 10 June 2008

Analysis of X-ray structures of matrix metalloproteinases via chaotic map clustering

scientific article

Analysis of solvent-exposed and buried co-crystallized ligands: a case study to support the design of novel protein-protein interaction inhibitors

scientific article published on 22 November 2018

Automated identification of structurally heterogeneous and patentable antiproliferative hits as potential tubulin inhibitors

scientific article published on 6 April 2018

Away from Flatness: Unprecedented Nitrogen-Bridged Cyclopenta[<i>a</i>]indene Derivatives as Novel Anti-Alzheimer Multitarget Agents

scientific article published on 04 January 2021

BCR-ABL Inhibitors in Chronic Myeloid Leukemia: Process Chemistry and Biochemical Profile ⬇️

scientific article published on January 1, 2011

Bcr-Abl Allosteric Inhibitors: Where We Are and Where We Are Going to

scientific article published on 14 September 2020

Bcr-Abl Tyrosine Kinase Inhibitors in the Treatment of Pediatric CML

scientific article published on 23 June 2020

Biarylmethoxy isonipecotanilides as potent and selective inhibitors of blood coagulation factor Xa

Building up QSAR model for toxicity of psychotropic drugs by the Monte Carlo method

article

CATMoS: Collaborative Acute Toxicity Modeling Suite

scientific article published in April 2021

CERAPP: Collaborative Estrogen Receptor Activity Prediction Project

scientific article published in July 2016

Challenging AQP4 druggability for NMO-IgG antibody binding using molecular dynamics and molecular interaction fields

scientific article published on 31 March 2015

ClC-1 mutations in myotonia congenita patients: insights into molecular gating mechanisms and genotype-phenotype correlation.

scientific article published on 12 June 2015

CoMPARA: Collaborative Modeling Project for Androgen Receptor Activity

scientific article published on 07 February 2020

Comparative molecular dynamics study of neuromyelitis optica-immunoglobulin G binding to aquaporin-4 extracellular domains

scientific article published on 3 May 2017

Computational methods for the design of potent aromatase inhibitors

scientific article published on 04 February 2013

Cover Feature: Persulfate Reaction in a Hair‐Bleaching Formula: Unveiling the Unconventional Reactivity of 1,13‐Diamino‐4,7,10‐Trioxatridecane (ChemistryOpen 5/2018).

scientific article

Cytisine derivatives as high affinity nAChR ligands: synthesis and comparative molecular field analysis

scientific article published in June 2002

D184E mutation in aquaporin-4 gene impairs water permeability and links to deafness.

scientific article published on 16 September 2011

De novo drug design of targeted chemical libraries based on artificial intelligence and pair based multi-objective optimization

scientific article published on 26 August 2020

Design and synthesis of fluorescent ligands for the detection of cannabinoid type 2 receptor (CB2R)

scientific article published on 07 January 2020

Design, Synthesis, and Biological Evaluation of Pyridazinones Containing the (2-Fluorophenyl) Piperazine Moiety as Selective MAO-B Inhibitors

scientific article published on 17 November 2020

Design, Synthesis, and Biological Evaluation of Tetrahydro-β-carboline Derivatives as Selective Sub-Nanomolar Gelatinase Inhibitors

scholarly article by Giuseppe Felice Mangiatordi et al published 12 June 2018 in ChemMedChem

Design, synthesis and biological evaluation of 5-hydroxy, 5-substituted-pyrimidine-2,4,6-triones as potent inhibitors of gelatinases MMP-2 and MMP-9

article by Orazio Nicolotti et al published December 2012 in European Journal of Medicinal Chemistry

Design, synthesis and biological evaluation of coumarin alkylamines as potent and selective dual binding site inhibitors of acetylcholinesterase

scientific article

Design, synthesis and pharmacobiological evaluation of novel acrylic acid derivatives acting as lipoxygenase and cyclooxygenase-1 inhibitors with antioxidant and anti-inflammatory activities

article by Eleni Pontiki et al published January 2011 in European Journal of Medicinal Chemistry

Design, synthesis, and biological evaluation of coumarin derivatives tethered to an edrophonium-like fragment as highly potent and selective dual binding site acetylcholinesterase inhibitors

scientific article published on September 2010

Design, synthesis, and biological evaluation of imidazolyl derivatives of 4,7-disubstituted coumarins as aromatase inhibitors selective over 17-α-hydroxylase/C17-20 lyase

scientific article published on 22 February 2011

Design, synthesis, biological evaluation, NMR and DFT studies of structurally simplified trimethoxy benzamides as selective P-glycoprotein inhibitors: the role of molecular flatness

scientific article published on 22 June 2016

Development of a Rapid Mass Spectrometric Determination of AMP and Cyclic AMP for PDE3 Activity Study: Application and Computational Analysis for Evaluating the Effect of a Novel 2-oxo-1,2-dihydropyridine-3-carbonitrile Derivative as PDE-3 Inhibitor

scientific article published on 15 April 2020

Discovery of a Novel Class of Potent Coumarin Monoamine Oxidase B Inhibitors: Development and Biopharmacological Profiling of 7-[(3-Chlorobenzyl)oxy]-4-[(methylamino)methyl]-2H-chromen-2-one Methanesulfonate (NW-1772) as a Highly Potent, Selective, R

article

Discovery of a Potent and Selective Hetero-Bivalent AChE Inhibitor via Bioisosteric Replacement

scholarly article by Orazio Nicolotti et al published 14 March 2011 in Molecular Informatics

Discovery of new 7-substituted-4-imidazolylmethyl coumarins and 4′-substituted-2-imidazolyl acetophenones open analogues as potent and selective inhibitors of steroid-11β-hydroxylase

scholarly article by Angela Stefanachi et al published January 2015 in European Journal of Medicinal Chemistry

Discovery, biological evaluation, and structure-activity and -selectivity relationships of 6'-substituted (E)-2-(benzofuran-3(2H)-ylidene)-N-methylacetamides, a novel class of potent and selective monoamine oxidase inhibitors.

scientific article published on 13 March 2013

Docking-based classification models for exploratory toxicology studies on high-quality estrogenic experimental data

scientific article

Effects of different self-assembled monolayers on thin-film morphology: a combined DFT/MD simulation protocol

scientific article published on 14 September 2015

Evaluation and comparison of benchmark QSAR models to predict a relevant REACH endpoint: The bioconcentration factor (BCF).

scientific article published on 21 January 2015

Evaluation of reactant-based and product-based approaches to the design of combinatorial libraries

article

Exploring Basic Tail Modifications of Coumarin-Based Dual Acetylcholinesterase-Monoamine Oxidase B Inhibitors: Identification of Water-Soluble, Brain-Permeant Neuroprotective Multitarget Agents

scientific article published on 27 June 2016

Fine molecular tuning at position 4 of 2H-chromen-2-one derivatives in the search of potent and selective monoamine oxidase B inhibitors.

scientific article published on 17 October 2013

From flamingo dance to (desirable) drug discovery: a nature-inspired approach

scientific article

Harmonization of QSAR Best Practices and Molecular Docking Provides an Efficient Virtual Screening Tool for Discovering New G-Quadruplex Ligands

scientific article published on 10 September 2015

Homo- and hetero-bivalent edrophonium-like ammonium salts as highly potent, dual binding site AChE inhibitors

scientific article published on 14 June 2008

Homodimeric bis-quaternary heterocyclic ammonium salts as potent acetyl- and butyrylcholinesterase inhibitors: a systematic investigation of the influence of linker and cationic heads over affinity and selectivity

scientific article

Human Aquaporin-4 and Molecular Modeling: Historical Perspective and View to the Future

scientific article

Identification of a point mutation impairing the binding between aquaporin-4 and neuromyelitis optica autoantibodies

scientific article published on 19 September 2014

Identification of structural alerts for liver and kidney toxicity using repeated dose toxicity data

scientific article published on 5 November 2015

Improving quantitative structure-activity relationships through multiobjective optimization

scientific article published in October 2009

In silico design of novel 2H-chromen-2-one derivatives as potent and selective MAO-B inhibitors.

scientific article published on 13 October 2014

Inactivation of the glutamine/amino acid transporter ASCT2 by 1,2,3-dithiazoles: proteoliposomes as a tool to gain insights in the molecular mechanism of action and of antitumor activity

scientific article

Insights into the complex formed by matrix metalloproteinase-2 and alloxan inhibitors: molecular dynamics simulations and free energy calculations

scientific article

Integration of QSAR models for bioconcentration suitable for REACH.

scientific article published on 24 April 2013

Investigating Enzyme Selectivity and Hit Enrichment by Automatically Interfacing Ligand- and Structure-Based Molecular Design

Kidney CLC-K chloride channels inhibitors: structure-based studies and efficacy in hypertension and associated CLC-K polymorphisms.

scientific article published in May 2016

Ligand efficiency metrics in drug discovery: the pros and cons from a practical perspective

scientific article published on 17 August 2017

Mannich base approach to 5-methoxyisatin 3-(4-isopropylphenyl)hydrazone: A water-soluble prodrug for a multitarget inhibition of cholinesterases, beta-amyloid fibrillization and oligomer-induced cytotoxicity

scientific article published on 8 August 2017

Mind the Gap! A Journey towards Computational Toxicology

scientific article published on 13 April 2016

Molecular Docking for Predictive Toxicology

scientific article published on 01 January 2018

Multidisciplinary study of a new ClC-1 mutation causing myotonia congenita: a paradigm to understand and treat ion channelopathies

scientific article published on 20 June 2016

Multiobjective Optimization in Quantitative Structure−Activity Relationships: Deriving Accurate and Interpretable QSARs

article

Multitarget Drug Design for Neurodegenerative Diseases

article by Marco Catto et al published 2018 in Methods in pharmacology and toxicology

Multivariate analysis of quaternary carbamazepine–saccharin mixtures by X-ray diffraction and infrared spectroscopy ⬇️

scientific article published on February 14, 2013

Neuronal nicotinic acetylcholine receptor agonists: pharmacophores, evolutionary QSAR and 3D-QSAR models

scientific article published on January 2004

Neuronal nicotinic receptor agonists: a multi-approach development of the pharmacophore

scientific article published in September 2001

Nitazoxanide inhibits paramyxovirus replication by targeting the Fusion protein folding: role of glycoprotein-specific thiol oxidoreductase ERp57

scientific article published in Scientific Reports

Novel chemotypes targeting tubulin at the colchicine binding site and unbiasing P-glycoprotein

scientific article published on 21 July 2017

Persulfate Reaction in a Hair-Bleaching Formula: Unveiling the Unconventional Reactivity of 1,13-Diamino-4,7,10-Trioxatridecane.

scientific article published on 25 March 2018

Pharmacophore Modeling and 3D-QSAR Study of Indole and Isatin Derivatives as Antiamyloidogenic Agents Targeting Alzheimer's Disease

scientific article published on 07 December 2020

Pharmacovigilance database search discloses ClC-K channels as a novel target of the AT1 receptor blockers valsartan and olmesartan.

scientific article

Potent galloyl-based selective modulators targeting multidrug resistance associated protein 1 and P-glycoprotein

scientific article

Prediction of acute oral systemic toxicity using a multi-fingerprint similarity approach

article

Predictive Structure-Based Toxicology Approaches To Assess the Androgenic Potential of Chemicals.

scientific article

QSAR and QSPR studies of a highly structured physicochemical domain

scientific article

QSPR/QSAR Analyses by Means of the CORAL Software

Quinolizidinyl derivatives of bi- and tricyclic systems as potent inhibitors of acetyl- and butyrylcholinesterase with potential in Alzheimer’s disease

scientific article published on 05 March 2011

REACH and in silico methods: an attractive opportunity for medicinal chemists

scientific article

Screening of benzamidine-based thrombin inhibitors via a linear interaction energy in continuum electrostatics model

scientific article

Screening of matrix metalloproteinases available from the protein data bank: insights into biological functions, domain organization, and zinc binding groups

scientific article

Searching for Multi-Targeting Neurotherapeutics against Alzheimer's: Discovery of Potent AChE-MAO B Inhibitors through the Decoration of the 2H-Chromen-2-one Structural Motif.

scientific article published on 17 March 2016

Solid phase synthesis of a molecular library of pyrimidines, pyrazoles, and isoxazoles with biological potential

article published in 2010

Solid-phase synthesis and insights into structure-activity relationships of safinamide analogues as potent and selective inhibitors of type B monoamine oxidase

scientific article (publication date: 4 October 2007)

Strategies of multi-objective optimization in drug discovery and development

scientific article

Structural insights into monoamine oxidase inhibitory potency and selectivity of 7-substituted coumarins from ligand- and target-based approaches

scientific article

Structure-Based Design and Optimization of Multitarget-Directed 2H-Chromen-2-one Derivatives as Potent Inhibitors of Monoamine Oxidase B and Cholinesterases.

scientific article

Structure-Based Identification and Design of Angiotensin Converting Enzyme-Inhibitory Peptides from Whey Proteins

scientific article published on 02 January 2020

Studies on the antiplatelet and antithrombotic profile of anti-inflammatory coumarin derivatives

scientific article

Supramolecular Anchoring of NCN-Pincer Palladium Complexes into a β-Barrel Protein Host: Molecular-Docking and Reactivity Insights

Toward a fragment-based approach to MMPs inhibitors: an expedite and efficient synthesis of N-hydroxylactams

Trimethoxybenzanilide-based P-glycoprotein modulators: an interesting case of lipophilicity tuning by intramolecular hydrogen bonding

scientific article

List of works by Orazio Nicolotti

(Hetero-)(arylidene)arylhydrazides as Multitarget-Directed Monoamine Oxidase Inhibitors

1,3-Dialkyl-8-(hetero)aryl-9-OH-9-deazaxanthines as potent A2B adenosine receptor antagonists: design, synthesis, structure-affinity and structure-selectivity relationships

1,3-dialkyl-8-N-substituted benzyloxycarbonylamino-9-deazaxanthines as potent adenosine receptor ligands: Design, synthesis, structure-affinity and structure-selectivity relationships.

8-Substituted-9-deazaxanthines as adenosine receptor ligands: design, synthesis and structure-affinity relationships at A2B.

A New Approach for Drug Target and Bioactivity Prediction: The Multifingerprint Similarity Search Algorithm (MuSSeL)

A Round Trip from Medicinal Chemistry to Predictive Toxicology

A chemocentric approach to the identification of cancer targets

A generalizable definition of chemical similarity for read-across

A k-NN algorithm for predicting the oral sub-chronic toxicity in the rat.

A new gating site in human aquaporin-4: Insights from molecular dynamics simulations

A novel KCNA1 mutation in a patient with paroxysmal ataxia, myokymia, painful contractures and metabolic dysfunctions.

A rational approach to elucidate human monoamine oxidase molecular selectivity

Accelerating Drug Discovery by Early Protein Drug Target Prediction Based on a Multi-Fingerprint Similarity Search

Activation of Rho Family GTPases by Small Molecules.

Activity cliffs in drug discovery: Dr Jekyll or Mr Hyde?

Alpha2-Adrenergic Receptors in Intestinal Epithelial Cells: Mechanisms of Signaling, Role, and Regulation

An alternative QSAR-based approach for predicting the bioconcentration factor for regulatory purposes

An integrated approach to ligand- and structure-based drug design: development and application to a series of serine protease inhibitors

Analysis of X-ray structures of matrix metalloproteinases via chaotic map clustering

Analysis of solvent-exposed and buried co-crystallized ligands: a case study to support the design of novel protein-protein interaction inhibitors

Automated identification of structurally heterogeneous and patentable antiproliferative hits as potential tubulin inhibitors

Away from Flatness: Unprecedented Nitrogen-Bridged Cyclopenta[<i>a</i>]indene Derivatives as Novel Anti-Alzheimer Multitarget Agents

BCR-ABL Inhibitors in Chronic Myeloid Leukemia: Process Chemistry and Biochemical Profile ⬇️

Bcr-Abl Allosteric Inhibitors: Where We Are and Where We Are Going to

Bcr-Abl Tyrosine Kinase Inhibitors in the Treatment of Pediatric CML

Biarylmethoxy isonipecotanilides as potent and selective inhibitors of blood coagulation factor Xa

Building up QSAR model for toxicity of psychotropic drugs by the Monte Carlo method

CATMoS: Collaborative Acute Toxicity Modeling Suite

CERAPP: Collaborative Estrogen Receptor Activity Prediction Project

Challenging AQP4 druggability for NMO-IgG antibody binding using molecular dynamics and molecular interaction fields

ClC-1 mutations in myotonia congenita patients: insights into molecular gating mechanisms and genotype-phenotype correlation.

CoMPARA: Collaborative Modeling Project for Androgen Receptor Activity

Comparative molecular dynamics study of neuromyelitis optica-immunoglobulin G binding to aquaporin-4 extracellular domains

Computational methods for the design of potent aromatase inhibitors

Cover Feature: Persulfate Reaction in a Hair‐Bleaching Formula: Unveiling the Unconventional Reactivity of 1,13‐Diamino‐4,7,10‐Trioxatridecane (ChemistryOpen 5/2018).

Cytisine derivatives as high affinity nAChR ligands: synthesis and comparative molecular field analysis

D184E mutation in aquaporin-4 gene impairs water permeability and links to deafness.

De novo drug design of targeted chemical libraries based on artificial intelligence and pair based multi-objective optimization

Design and synthesis of fluorescent ligands for the detection of cannabinoid type 2 receptor (CB2R)

Design, Synthesis, and Biological Evaluation of Pyridazinones Containing the (2-Fluorophenyl) Piperazine Moiety as Selective MAO-B Inhibitors

Design, Synthesis, and Biological Evaluation of Tetrahydro-β-carboline Derivatives as Selective Sub-Nanomolar Gelatinase Inhibitors

Design, synthesis and biological evaluation of 5-hydroxy, 5-substituted-pyrimidine-2,4,6-triones as potent inhibitors of gelatinases MMP-2 and MMP-9

Design, synthesis and biological evaluation of coumarin alkylamines as potent and selective dual binding site inhibitors of acetylcholinesterase

Design, synthesis and pharmacobiological evaluation of novel acrylic acid derivatives acting as lipoxygenase and cyclooxygenase-1 inhibitors with antioxidant and anti-inflammatory activities

Design, synthesis, and biological evaluation of coumarin derivatives tethered to an edrophonium-like fragment as highly potent and selective dual binding site acetylcholinesterase inhibitors

Design, synthesis, and biological evaluation of imidazolyl derivatives of 4,7-disubstituted coumarins as aromatase inhibitors selective over 17-α-hydroxylase/C17-20 lyase

Design, synthesis, biological evaluation, NMR and DFT studies of structurally simplified trimethoxy benzamides as selective P-glycoprotein inhibitors: the role of molecular flatness

Development of a Rapid Mass Spectrometric Determination of AMP and Cyclic AMP for PDE3 Activity Study: Application and Computational Analysis for Evaluating the Effect of a Novel 2-oxo-1,2-dihydropyridine-3-carbonitrile Derivative as PDE-3 Inhibitor

Discovery of a Novel Class of Potent Coumarin Monoamine Oxidase B Inhibitors: Development and Biopharmacological Profiling of 7-[(3-Chlorobenzyl)oxy]-4-[(methylamino)methyl]-2H-chromen-2-one Methanesulfonate (NW-1772) as a Highly Potent, Selective, R

Discovery of a Potent and Selective Hetero-Bivalent AChE Inhibitor via Bioisosteric Replacement

Discovery of new 7-substituted-4-imidazolylmethyl coumarins and 4′-substituted-2-imidazolyl acetophenones open analogues as potent and selective inhibitors of steroid-11β-hydroxylase

Discovery, biological evaluation, and structure-activity and -selectivity relationships of 6'-substituted (E)-2-(benzofuran-3(2H)-ylidene)-N-methylacetamides, a novel class of potent and selective monoamine oxidase inhibitors.

Docking-based classification models for exploratory toxicology studies on high-quality estrogenic experimental data

Effects of different self-assembled monolayers on thin-film morphology: a combined DFT/MD simulation protocol

Evaluation and comparison of benchmark QSAR models to predict a relevant REACH endpoint: The bioconcentration factor (BCF).

Evaluation of reactant-based and product-based approaches to the design of combinatorial libraries

Exploring Basic Tail Modifications of Coumarin-Based Dual Acetylcholinesterase-Monoamine Oxidase B Inhibitors: Identification of Water-Soluble, Brain-Permeant Neuroprotective Multitarget Agents

Fine molecular tuning at position 4 of 2H-chromen-2-one derivatives in the search of potent and selective monoamine oxidase B inhibitors.

From flamingo dance to (desirable) drug discovery: a nature-inspired approach

Harmonization of QSAR Best Practices and Molecular Docking Provides an Efficient Virtual Screening Tool for Discovering New G-Quadruplex Ligands

Homo- and hetero-bivalent edrophonium-like ammonium salts as highly potent, dual binding site AChE inhibitors

Homodimeric bis-quaternary heterocyclic ammonium salts as potent acetyl- and butyrylcholinesterase inhibitors: a systematic investigation of the influence of linker and cationic heads over affinity and selectivity

Human Aquaporin-4 and Molecular Modeling: Historical Perspective and View to the Future

Identification of a point mutation impairing the binding between aquaporin-4 and neuromyelitis optica autoantibodies

Identification of structural alerts for liver and kidney toxicity using repeated dose toxicity data

Improving quantitative structure-activity relationships through multiobjective optimization

In silico design of novel 2H-chromen-2-one derivatives as potent and selective MAO-B inhibitors.

Inactivation of the glutamine/amino acid transporter ASCT2 by 1,2,3-dithiazoles: proteoliposomes as a tool to gain insights in the molecular mechanism of action and of antitumor activity

Insights into the complex formed by matrix metalloproteinase-2 and alloxan inhibitors: molecular dynamics simulations and free energy calculations

Integration of QSAR models for bioconcentration suitable for REACH.

Investigating Enzyme Selectivity and Hit Enrichment by Automatically Interfacing Ligand- and Structure-Based Molecular Design

Kidney CLC-K chloride channels inhibitors: structure-based studies and efficacy in hypertension and associated CLC-K polymorphisms.

Ligand efficiency metrics in drug discovery: the pros and cons from a practical perspective

Mannich base approach to 5-methoxyisatin 3-(4-isopropylphenyl)hydrazone: A water-soluble prodrug for a multitarget inhibition of cholinesterases, beta-amyloid fibrillization and oligomer-induced cytotoxicity

Mind the Gap! A Journey towards Computational Toxicology

Molecular Docking for Predictive Toxicology

Multidisciplinary study of a new ClC-1 mutation causing myotonia congenita: a paradigm to understand and treat ion channelopathies

Multiobjective Optimization in Quantitative Structure−Activity Relationships: Deriving Accurate and Interpretable QSARs

Multitarget Drug Design for Neurodegenerative Diseases