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Drug and Drug Candidate Building Block Analysis
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1002/med.10041openalex-snapshot
Selection criteria for drug‐like compounds
inferredcites →https://doi.org/10.1016/j.cbpa.2005.05.002openalex-snapshot
Fragonomics: fragment-based drug discovery
inferredcites →https://doi.org/10.1016/j.drudis.2006.02.008openalex-snapshot
Integrating molecular design resources within modern drug discovery research: the Roche experience
inferredcites →https://doi.org/10.1016/j.drudis.2006.11.011openalex-snapshot
Drugs in other drugs: a new look at drugs as fragments
inferredcites →https://doi.org/10.1016/j.drudis.2006.12.003openalex-snapshot
Scaffold selection and scaffold hopping in lead generation: a medicinal chemistry perspective
inferredcites →https://doi.org/10.1016/s0169-409x(00)00129-0openalex-snapshot
Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings 1PII of original article: S0169-409X(96)00423-1. The article was originally published in Advanced Drug Delivery Reviews 23 (1997) 3–25. 1
inferredcites →https://doi.org/10.1016/s0169-409x(96)00423-1openalex-snapshot
Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings
inferredcites →https://doi.org/10.1016/s1359-6446(99)01451-8openalex-snapshot
Computational methods for the prediction of ‘drug-likeness’
inferredcites →https://doi.org/10.1016/s1574-1400(09)00505-2openalex-snapshot
Chapter 5 Recent Advances on in silico ADME Modeling
inferredcites →https://doi.org/10.1021/cc000097lopenalex-snapshot
Scaffold Architecture and Pharmacophoric Properties of Natural Products and Trade Drugs: Application in the Design of Natural Product-Based Combinatorial Libraries
inferredcites →https://doi.org/10.1021/ci049714+openalex-snapshot
ZINC − A Free Database of Commercially Available Compounds for Virtual Screening
inferredcites →https://doi.org/10.1021/ci060087topenalex-snapshot
Genetic Algorithm-Optimized QSPR Models for Bioavailability, Protein Binding, and Urinary Excretion
inferredcites →https://doi.org/10.1021/ci600343xopenalex-snapshot
ADME Evaluation in Drug Discovery. 7. Prediction of Oral Absorption by Correlation and Classification
inferredcites →https://doi.org/10.1021/ci6003515openalex-snapshot
ADME Evaluation in Drug Discovery. 6. Can Oral Bioavailability in Humans Be Effectively Predicted by Simple Molecular Property-Based Rules?
inferredcites →https://doi.org/10.1021/ci700096ropenalex-snapshot
Development of Reliable Aqueous Solubility Models and Their Application in Druglike Analysis
inferredcites →https://doi.org/10.1021/ci980107uopenalex-snapshot
Balancing Representativeness Against Diversity using Optimizable K-Dissimilarity and Hierarchical Clustering
inferredcites →https://doi.org/10.1021/ci990039ropenalex-snapshot
Structural Features of Toxic Chemicals for Specific Toxicity
inferredcites →https://doi.org/10.1021/ja902302hopenalex-snapshot
970 Million Druglike Small Molecules for Virtual Screening in the Chemical Universe Database GDB-13
inferredcites →https://doi.org/10.1021/jm021053popenalex-snapshot
A Comparison of Physiochemical Property Profiles of Development and Marketed Oral Drugs
inferredcites →https://doi.org/10.1021/jm0603825openalex-snapshot
Dependence of Molecular Properties on Proteomic Family for Marketed Oral Drugs
inferredcites →https://doi.org/10.1021/jm701399fopenalex-snapshot
Chemical Fragments as Foundations for Understanding Target Space and Activity Prediction
inferredcites →https://doi.org/10.1021/jm9602928openalex-snapshot
The Properties of Known Drugs. 1. Molecular Frameworks
inferredcites →https://doi.org/10.1021/jm9903996openalex-snapshot
Properties of Known Drugs. 2. Side Chains
inferredcites →https://doi.org/10.1038/nrd1470openalex-snapshot
Can the pharmaceutical industry reduce attrition rates?
inferredcites →https://doi.org/10.1038/nrd2445openalex-snapshot
The influence of drug-like concepts on decision-making in medicinal chemistry
inferredcites →https://doi.org/10.1093/nar/gkm958openalex-snapshot
DrugBank: a knowledgebase for drugs, drug actions and drug targets
inferredcites →https://doi.org/10.1248/cpb.40.127openalex-snapshot
Simple Method of Calculating Octanol/Water Partition Coefficient.
inferredcites →https://doi.org/10.2174/187231307779814066openalex-snapshot
Properties and Architecture of Drugs and Natural Products Revisited
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1002/9783527665143.ch03openalex-snapshot
Scaffold Diversity in Medicinal Chemistry Space
inferred← citeshttps://doi.org/10.1002/9783527801718.ch10openalex-snapshot
Bioinspiration from Marine Scaffolds
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Recent Advances in Transition‐Metal‐Mediated Chelation‐ Assisted Sulfonylation of Unactivated C−H Bonds
inferred← citeshttps://doi.org/10.1002/advs.202406228openalex-snapshot
Zinc Promoted Cross‐Electrophile Sulfonylation to Access Alkyl–Alkyl Sulfones
inferred← citeshttps://doi.org/10.1002/ajoc.202400778openalex-snapshot
Cs 2 CO 3 ‐Promoted aza‐Michael Addition of ( E )‐ β ‐Iodovinyl Sulfones with 5‐Amino‐1 H ‐pyrazole‐4‐carbaldehydes and Anthranilic Acids/Amides: Synthesis of 5‐Sulfonylpyrazolo[3,4‐ b ]pyridines and 3‐Sulfonyl‐4‐quinolones
inferred← citeshttps://doi.org/10.1002/ajoc.202500341openalex-snapshot
One‐Pot Tandem Alkylsulfonylation/Cyclization of Unactivated Alkenes to Construct Alkylsulfonyl‐Containing Polycyclic Quinazolinones Under Photocatalysis
inferred← citeshttps://doi.org/10.1002/ange.201915021openalex-snapshot
Synthesis of Both Enantiomers of Nine‐Membered CF3‐Substituted Heterocycles Using a Single Chiral Ligand: Palladium‐Catalyzed Decarboxylative Ring Expansion with Kinetic Resolution
inferred← citeshttps://doi.org/10.1002/ange.202001589openalex-snapshot
Sodium Dithionite‐Mediated Decarboxylative Sulfonylation: Facile Access to Tertiary Sulfones
inferred← citeshttps://doi.org/10.1002/ange.202302199openalex-snapshot
Access to Polysulfides through Photocatalyzed Dithiosulfonylation
inferred← citeshttps://doi.org/10.1002/ange.202310203openalex-snapshot
Divergent and Selective Light Alkene Cross‐Coupling
inferred← citeshttps://doi.org/10.1002/ange.202503126openalex-snapshot
Modular Access to Arylethylamines Enabled by Ni‐Catalyzed Markovnikov ‐Selective Hydroarylation of Allylic Amines
inferred← citeshttps://doi.org/10.1002/anie.201915021openalex-snapshot
Synthesis of Both Enantiomers of Nine‐Membered CF 3 ‐Substituted Heterocycles Using a Single Chiral Ligand: Palladium‐Catalyzed Decarboxylative Ring Expansion with Kinetic Resolution
inferred← citeshttps://doi.org/10.1002/anie.202001589openalex-snapshot
Sodium Dithionite‐Mediated Decarboxylative Sulfonylation: Facile Access to Tertiary Sulfones
inferred← citeshttps://doi.org/10.1002/anie.202302199openalex-snapshot
Access to Polysulfides through Photocatalyzed Dithiosulfonylation
inferred← citeshttps://doi.org/10.1002/anie.202310203openalex-snapshot
Divergent and Selective Light Alkene Cross‐Coupling
inferred← citeshttps://doi.org/10.1002/anie.202503126openalex-snapshot
Modular Access to Arylethylamines Enabled by Ni‐Catalyzed Markovnikov ‐Selective Hydroarylation of Allylic Amines
inferred← citeshttps://doi.org/10.1002/chem.201903232openalex-snapshot
The Symbiotic Relationship Between Drug Discovery and Organic Chemistry
inferred← citeshttps://doi.org/10.1002/cjoc.201700477openalex-snapshot
A New Class of Amide Ligands Enable Cu‐Catalyzed Coupling of Sodium Methanesulfinate with (Hetero)aryl Chlorides
inferred← citeshttps://doi.org/10.1002/cjoc.202000198openalex-snapshot
Straightforward Sulfonamidation via Metabisulfite‐Mediated Cross Coupling of Nitroarenes and Boronic Acids under Transition‐Metal‐Free Conditions †
inferred← citeshttps://doi.org/10.1002/cmdc.201000272openalex-snapshot
Structural and Potency Relationships between Scaffolds of Compounds Active against Human Targets
inferred← citeshttps://doi.org/10.1002/ejoc.201403620openalex-snapshot
Conformationally Constrained Penta(hetero)cyclic Molecular Architectures by Photoassisted Diversity‐Oriented Synthesis
inferred← citeshttps://doi.org/10.1002/jcc.26808openalex-snapshot
Hydration patterns of rings in drugs and relationship to lipophilicity: A DFT study
inferred← citeshttps://doi.org/10.1002/jhet.2841openalex-snapshot
Retracted: Microwave Assisted Synthesis of Trifluoro Substituted 2‐Aminobenzimidazole Derivatives via Iodoacetic Acid Mediated One‐pot Condensation
inferred← citeshttps://doi.org/10.1002/med.21255openalex-snapshot
Fragment Informatics and Computational Fragment‐Based Drug Design: An Overview and Update
inferred← citeshttps://doi.org/10.1002/minf.201100094openalex-snapshot
Disease‐Specific Differentiation Between Drugs and Non‐Drugs Using Principal Component Analysis of Their Molecular Descriptor Space
inferred← citeshttps://doi.org/10.1002/slct.202507511openalex-snapshot
Synthesis of Functionalized 3,4‐Dihydro‐2 H ‐1,4‐Thiazines Through (3 + 3) Cyclization of Pyridinium 1,4‐Zwitterionic Thiolates With 2‐Bromoacetoanilides
inferred← citeshttps://doi.org/10.1007/7355_2021_115openalex-snapshot
Electrochemistry in Flow for Drug Discovery
inferred← citeshttps://doi.org/10.1007/7653_2015_51openalex-snapshot
Computational Fragment-Based Drug Design
inferred← citeshttps://doi.org/10.1007/978-3-642-32750-6_6openalex-snapshot
DFT Chemical Reactivity Driven by Biological Activity: Applications for the Toxicological Fate of Chlorinated PAHs
inferred← citeshttps://doi.org/10.1007/s00044-018-02285-2openalex-snapshot
Novel fluorinated quaternary ammonium salts and their in vitro activity as trypanocidal agents
inferred← citeshttps://doi.org/10.1007/s11030-021-10341-0openalex-snapshot
Camphor nitroimine: a key building block in unusual transformations and its applications in the synthesis of bioactive compounds
inferred← citeshttps://doi.org/10.1007/s40362-013-0014-7openalex-snapshot
Scaffold Flatness: Reversing the Trend
inferred← citeshttps://doi.org/10.1016/j.addr.2015.01.009openalex-snapshot
The application of in silico drug-likeness predictions in pharmaceutical research
inferred← citeshttps://doi.org/10.1016/j.bmc.2019.01.023openalex-snapshot
Design, synthesis and algicides activities of thiourea derivatives as the novel scaffold aldolase inhibitors
inferred← citeshttps://doi.org/10.1016/j.cmpb.2014.08.009openalex-snapshot
Drug/nondrug classification using Support Vector Machines with various feature selection strategies
inferred← citeshttps://doi.org/10.1016/j.drudis.2014.09.023openalex-snapshot
Designing novel building blocks is an overlooked strategy to improve compound quality
inferred← citeshttps://doi.org/10.1016/j.ejmech.2014.02.040openalex-snapshot
Many drugs contain unique scaffolds with varying structural relationships to scaffolds of currently available bioactive compounds
inferred← citeshttps://doi.org/10.1016/j.ejps.2018.01.029openalex-snapshot
Accessing lipophilicity of drugs with biomimetic models: A comparative study using liposomes and micelles
inferred← citeshttps://doi.org/10.1016/j.etap.2017.03.006openalex-snapshot
Synthesis and toxicity assessment of 3-oxobutanamides against human lymphocytes and isolated mitochondria
inferred← citeshttps://doi.org/10.1016/j.jcat.2023.06.037openalex-snapshot
Organozinc pivalates for modular Cobalt-Catalyzed carbosulfonylation of 1,3-Enynes
inferred← citeshttps://doi.org/10.1016/j.knosys.2025.113699openalex-snapshot
MSN-DTA: A multi-scale node adaptive graph neural network for interpretable drug-target binding affinity prediction
inferred← citeshttps://doi.org/10.1016/j.tet.2026.135247openalex-snapshot
Metal-free visible-light photoredox-catalyzed one-pot tandem synthesis of polycyclic indoles bearing alkylsulfonyl groups
inferred← citeshttps://doi.org/10.1016/j.tetlet.2016.08.060openalex-snapshot
The first synthesis of isoxazolo[3,4-c]pyridine-7-ones
inferred← citeshttps://doi.org/10.1021/acs.energyfuels.7b01420openalex-snapshot
Nanoaggregates of Diverse Asphaltenes by Mass Spectrometry and Molecular Dynamics
inferred← citeshttps://doi.org/10.1021/acs.inorgchem.2c03134openalex-snapshot
Enriching Chemical Space of Bioactive Scaffolds by New Ring Systems: Benzazocines and Their Metal Complexes as Potential Anticancer Drugs
inferred← citeshttps://doi.org/10.1021/acs.jcim.8b00285openalex-snapshot
PADFrag: A Database Built for the Exploration of Bioactive Fragment Space for Drug Discovery
inferred← citeshttps://doi.org/10.1021/acs.jcim.8b00537openalex-snapshot
Development and Testing of Druglike Screening Libraries
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.0c00915openalex-snapshot
Analysis of Benzenoid Substitution Patterns in Small Molecule Active Pharmaceutical Ingredients
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.2c00954openalex-snapshot
Structure-Based Design of a Dual-Targeted Covalent Inhibitor Against Papain-like and Main Proteases of SARS-CoV-2
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.9b00004openalex-snapshot
Are We Opening the Door to a New Era of Medicinal Chemistry or Being Collapsed to a Chemical Singularity?
inferred← citeshttps://doi.org/10.1021/acs.joc.2c02743openalex-snapshot
Visible-Light-Driven Organocatalytic Alkoxylation of Benzylic C–H Bonds
inferred← citeshttps://doi.org/10.1021/acs.joc.6c00794openalex-snapshot
Scalable Annulation Approach to Functionalized 1-Azabicycloalkanes
inferred← citeshttps://doi.org/10.1021/acs.joc.8b00888openalex-snapshot
A Class of Amide Ligands Enable Cu-Catalyzed Coupling of (Hetero)aryl Halides with Sulfinic Acid Salts under Mild Conditions
inferred← citeshttps://doi.org/10.1021/acs.organomet.8b00539openalex-snapshot
Phosphino-Triazole Ligands for Palladium-Catalyzed Cross-Coupling
inferred← citeshttps://doi.org/10.1021/acs.orglett.0c02515openalex-snapshot
Palladium-Catalyzed Secondary Benzylic Imidoylative Reactions
inferred← citeshttps://doi.org/10.1021/acs.orglett.5c04490openalex-snapshot
Assembly of α-Aryl Sulfones and Allyl Sulfones and Their Amide Analogues via Copper-Catalyzed Coupling Reactions
inferred← citeshttps://doi.org/10.1021/acs.orglett.6c00500openalex-snapshot
Photoredox/Copper Dual-Catalyzed Four-Component Regioselective 1,2-Arylsulfonylation of Vinylarenes
inferred← citeshttps://doi.org/10.1021/acscatal.3c01763openalex-snapshot
Anion-Tuning of Organozincs Steering Cobalt-Catalyzed Radical Relay Couplings
inferred← citeshttps://doi.org/10.1021/acscatal.9b04887openalex-snapshot
Copper-Catalyzed Intermolecular Difunctionalization of Styrenes with Thiosulfonates and Arylboronic Acids via a Radical Relay Pathway
inferred← citeshttps://doi.org/10.1021/acsomega.0c00768openalex-snapshot
Efficient Synthesis of Hydroxy-Substituted 2-Aminobenzo[ d ]thiazole-6-carboxylic Acid Derivatives as New Building Blocks in Drug Discovery
inferred← citeshttps://doi.org/10.1021/acssuschemeng.6c03787openalex-snapshot
Life Cycle Thinking in Early Drug Discovery: Reducing Environmental Impact and Animal Testing via Interpretable Machine Learning- and Chemometrics-Based Oral Acute Toxicity Screening
inferred← citeshttps://doi.org/10.1021/ci100059qopenalex-snapshot
Molecular Scaffolds with High Propensity to Form Multi-Target Activity Cliffs
inferred← citeshttps://doi.org/10.1021/ci1002558openalex-snapshot
Molecular Topology Analysis of the Differences between Drugs, Clinical Candidate Compounds, and Bioactive Molecules
inferred← citeshttps://doi.org/10.1021/ci200179yopenalex-snapshot
Lessons Learned from Molecular Scaffold Analysis
inferred← citeshttps://doi.org/10.1021/ci200587hopenalex-snapshot
DrugLogit: Logistic Discrimination between Drugs and Nondrugs Including Disease-Specificity by Assigning Probabilities Based on Molecular Properties
inferred← citeshttps://doi.org/10.1021/jacs.6c03412openalex-snapshot
Ligand-Regulated Metallaphotoredox Aminoarylation for the Valorization of Feedstock Alkenes
inferred← citeshttps://doi.org/10.1021/jm101330hopenalex-snapshot
Fragment-Based Drug Design and Drug Repositioning Using Multiple Ligand Simultaneous Docking (MLSD): Identifying Celecoxib and Template Compounds as Novel Inhibitors of Signal Transducer and Activator of Transcription 3 (STAT3)
inferred← citeshttps://doi.org/10.1021/jm200338aopenalex-snapshot
Systematic Enumeration of Heteroaromatic Ring Systems as Reagents for Use in Medicinal Chemistry
inferred← citeshttps://doi.org/10.1021/jm401144zopenalex-snapshot
Drug Design Targeting Protein–Protein Interactions (PPIs) Using Multiple Ligand Simultaneous Docking (MLSD) and Drug Repositioning: Discovery of Raloxifene and Bazedoxifene as Novel Inhibitors of IL-6/GP130 Interface
inferred← citeshttps://doi.org/10.1021/mp300198dopenalex-snapshot
Drug-likeness Analysis of Traditional Chinese Medicines: Prediction of Drug-likeness Using Machine Learning Approaches
inferred← citeshttps://doi.org/10.1038/labinvest.2011.4openalex-snapshot
Metal-free imidazolium salts inhibit the growth of hepatocellular carcinoma in a mouse model
inferred← citeshttps://doi.org/10.1038/nrd.2018.116openalex-snapshot
Expanding the medicinal chemistry synthetic toolbox
inferred← citeshttps://doi.org/10.1038/s41467-020-16713-8openalex-snapshot
Transition-metal-free formal cross-coupling of aryl methyl sulfoxides and alcohols via nucleophilic activation of C-S bond
inferred← citeshttps://doi.org/10.1038/s41467-025-57474-6openalex-snapshot
Assembly of (hetero)aryl sulfilimines via copper-catalyzed enantioselective S-arylation of sulfenamides with (hetero)aryl Iodides
inferred← citeshttps://doi.org/10.1039/c3cp44697bopenalex-snapshot
A rapid identification of hit molecules for target proteins via physico-chemical descriptors
inferred← citeshttps://doi.org/10.1039/c3cs60423copenalex-snapshot
Anthropogenic reaction parameters – the missing link between chemical intuition and the available chemical space
inferred← citeshttps://doi.org/10.1039/c3ra47725hopenalex-snapshot
Conformationally restricted glutamic acid analogues: stereoisomers of 1-aminospiro[3.3]heptane-1,6-dicarboxylic acid
inferred← citeshttps://doi.org/10.1039/c7ra04808dopenalex-snapshot
Synthesis and in vitro biological evaluation of novel diaminothiophene scaffolds as antitumor and anti-influenza virus agents. Part 2
inferred← citeshttps://doi.org/10.1039/c9nj05248hopenalex-snapshot
Synthesis of 3-sulfonylquinolines by visible-light promoted metal-free cascade cycloaddition involving N -propargylanilines and sodium sulfinates
inferred← citeshttps://doi.org/10.1039/c9ob02445jopenalex-snapshot
p -TsOH-mediated synthesis of substituted 2,4-diaryl-3-sulfonylquinolines from functionalized 2-aminobenzophenones and aromatic β-ketosulfones under microwave irradiation
inferred← citeshttps://doi.org/10.1039/d0ob01570aopenalex-snapshot
Silver-promoted oxidative sulfonylation and ring-expansion of vinylcyclopropanes with sodium sulfinates leading to dihydronaphthalene derivatives
inferred← citeshttps://doi.org/10.1039/d0sc04103copenalex-snapshot
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inferred← citeshttps://doi.org/10.1039/d1qo01237aopenalex-snapshot
Two reaction modes of 1-sulfonyl-1,2,3-triazoles and pyridinium 1,4-zwitterionic thiolates: catalyst-free synthesis of pyrido[1,2- a ]pyrazine derivatives and 1,4-thiazine derivatives
inferred← citeshttps://doi.org/10.1039/d3qo01059gopenalex-snapshot
A photocatalytic traceless C–N bond formation/cleavage strategy enabling the use of (α-chiral) alkyl aldehydes as deoxygenative (chiral) alkyl radical equivalents
inferred← citeshttps://doi.org/10.1039/d4qo01299bopenalex-snapshot
Palladium-catalyzed four-component domino sulfonylation and carbonylation of 1,3-enynes at room temperature
inferred← citeshttps://doi.org/10.1039/d5sc01367dopenalex-snapshot
A unified approach to meta -selective methylation, mono-, di- and trifluoromethylation of arenes
inferred← citeshttps://doi.org/10.1051/matecconf/201823201021openalex-snapshot
Comparative Study Of Complex Network Community Structure Algorithms In network Pharmacology Analysis
inferred← citeshttps://doi.org/10.1055/a-2320-8362openalex-snapshot
Multigram Synthesis of 4,4-Disubstituted 3-Oxopyrrolidones: Efficient Starting Materials for Diverse 3-Functionalized Pyrrolidones
inferred← citeshttps://doi.org/10.1073/pnas.1107336108openalex-snapshot
Clustered patterns of species origins of nature-derived drugs and clues for future bioprospecting
inferred← citeshttps://doi.org/10.1080/00949655.2022.2093873openalex-snapshot
Robust ranking by ensembling of diverse models and assessment metrics
inferred← citeshttps://doi.org/10.1080/08927022.2017.1328556openalex-snapshot
Prediction of chemical biodegradability using computational methods
inferred← citeshttps://doi.org/10.1093/nar/gkt1129openalex-snapshot
Therapeutic target database update 2014: a resource for targeted therapeutics
inferred← citeshttps://doi.org/10.1109/iccsn.2017.8230260openalex-snapshot
Research on abnormal data processing and constructing network based on network pharmacology
inferred← citeshttps://doi.org/10.1111/cbdd.12162openalex-snapshot
Toward an Efficient Approach to Identify Molecular Scaffolds Possessing Selective or Promiscuous Compounds
inferred← citeshttps://doi.org/10.1186/1745-6150-8-28openalex-snapshot
DrugMint: a webserver for predicting and designing of drug-like molecules
inferred← citeshttps://doi.org/10.1186/1758-2946-4-31openalex-snapshot
Drug-likeness analysis of traditional Chinese medicines: 1. property distributions of drug-like compounds, non-drug-like compounds and natural compounds from traditional Chinese medicines
inferred← citeshttps://doi.org/10.1186/1758-2946-5-5openalex-snapshot
Drug-likeness analysis of traditional Chinese medicines: 2. Characterization of scaffold architectures for drug-like compounds, non-drug-like compounds, and natural compounds from traditional Chinese medicines
inferred← citeshttps://doi.org/10.1208/s12248-014-9621-8openalex-snapshot
Many Approved Drugs Have Bioactive Analogs With Different Target Annotations
inferred← citeshttps://doi.org/10.1208/s12248-015-9737-5openalex-snapshot
Structural and Activity Profile Relationships Between Drug Scaffolds
inferred← citeshttps://doi.org/10.1517/17460441003782277openalex-snapshot
Fragment-based QSAR strategies in drug design
inferred← citeshttps://doi.org/10.26434/chemrxiv-2024-5zxxmopenalex-snapshot
AI-driven drug discovery: identification and optimization of ALDH3A1 selective inhibitors with nanomolar activity
inferred← citeshttps://doi.org/10.26434/chemrxiv-2024-f594popenalex-snapshot
Multigram Synthesis of 4,4-disubstituted-3-oxopyrrolidones – efficient starting material for diverse 3 functionalized pyrrolidones
inferred← citeshttps://doi.org/10.3390/ijms22052742openalex-snapshot
Molecular Docking and Biophysical Studies for Antiproliferative Assessment of Synthetic Pyrazolo-Pyrimidinones Tethered with Hydrazide-Hydrazones
inferred← citeshttps://doi.org/10.3390/ijms222111739openalex-snapshot
Natural Products-Based Drug Design against SARS-CoV-2 Mpro 3CLpro
inferred← citeshttps://doi.org/10.3390/molecules23092303openalex-snapshot
Prediction Methods of Herbal Compounds in Chinese Medicinal Herbs
inferred← citeshttps://doi.org/10.3390/molecules26195911openalex-snapshot
Synthesis and Evaluation of Novel 1,2,6-Thiadiazinone Kinase Inhibitors as Potent Inhibitors of Solid Tumors
inferred← citeshttps://doi.org/10.3390/ph15101264openalex-snapshot
Structure-Guide Design and Optimization of Potential Druglikeness Inhibitors for TGFβRI with the Pyrrolopyrimidine Scaffold
inferred← citeshttps://doi.org/10.34133/hds.0098openalex-snapshot
Current Trends and Challenges in Drug-Likeness Prediction: Are They Generalizable and Interpretable?
inferred← citeshttps://doi.org/10.3934/mbe.2023191openalex-snapshot
Dynamics analysis of building block synthesis reactions for virus assembly in vitro
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Mathematical analysis of synthesis chemical reactions for virus building block polymers in vivo
inferred← citeshttps://doi.org/10.4155/fmc.10.277openalex-snapshot
Computational Medicinal Chemistry in Fragment-Based Drug Discovery: What, How and When
inferred← citeshttps://doi.org/10.4155/fmc.14.156openalex-snapshot
Structural Diversity and Potency Range Distribution of Scaffolds from Compounds Active Against Current Pharmaceutical Targets
inferred← citeshttps://doi.org/10.48550/arxiv.1706.06971openalex-snapshot
Ensembles of phalanxes across assessment metrics for robust ranking of homologous proteins
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A New Era of Discovery: How Artificial Intelligence has Revolutionized the Biotechnology
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Étude de la fonctionnalisation de 5-benzylidènethiazolidine-2,4-diones et application à la synthèse de nouveaux composés à visée anticancéreuse
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