On the public citation graph
Is There a Difference between Leads and Drugs? A Historical Perspective
0 signed · 756 inferred · view as graph
Inferred edges come from two machine sources: sweeps of open repository metadata (mostly SSRN and Zenodo), and a bulk OpenAlex citation snapshot. Every row below is labelled with the one it came from. Neither is a complete citation index — absence here is not evidence of absence.
Is this your work? Sign in with ORCID and put your name on the
claims that are yours.
Reference health. See whether every reference in this work resolves to a
known work and none has been retracted — and get a dated CiteStamped
badge you can embed.
What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1002/(sici)1521-3773(19991216)38:24<3743::aid-anie3743>3.0.co;2-uopenalex-snapshot
The Design of Leadlike Combinatorial Libraries
inferredcites →https://doi.org/10.1002/(sici)1521-3773(19991216)38:24<3748::aid-anie3748>3.0.co;2-0openalex-snapshot
Template-Mediated Synthesis of Polycyclic Aromatic Hydrocarbons: Cyclodehydrogenation and Planarization of a Hexaphenylbenzene Derivative at a Copper Surface
inferredcites →https://doi.org/10.1007/978-3-0348-9311-4_6openalex-snapshot
Serendipity and structured research in drug discovery
inferredcites →https://doi.org/10.1007/s0089490050141openalex-snapshot
Encyclopedia of Computational Chemistry
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/s1093-3263(00)00066-8openalex-snapshot
Chemical information management in drug discovery: optimizing the computational and combinatorial chemistry interfaces
inferredcites →https://doi.org/10.1021/ci000403iopenalex-snapshot
Molecular Complexity and Its Impact on the Probability of Finding Leads for Drug Discovery
inferredcites →https://doi.org/10.1021/jm970666copenalex-snapshot
Can We Learn To Distinguish between “Drug-like” and “Nondrug-like” Molecules?
inferredcites →https://doi.org/10.1021/jm9706776openalex-snapshot
A Scoring Scheme for Discriminating between Drugs and Nondrugs
inferredcites →https://doi.org/10.1023/a:1008130001697openalex-snapshot
Property distribution of drug-related chemical databases*
inferredcites →https://doi.org/10.1126/science.287.5460.1960openalex-snapshot
Drug Discovery: A Historical Perspective
inferredcites →https://doi.org/10.1126/science.287.5460.1964openalex-snapshot
Target-Oriented and Diversity-Oriented Organic Synthesis in Drug Discovery
inferredcites →https://doi.org/10.1358/dnp.2010.23.2.1483963openalex-snapshot
Chronicles in drug discovery
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1002/0471266949.bmc005openalex-snapshot
Combinatorial Library Design, Molecular Similarity, and Diversity Applications
inferred← citeshttps://doi.org/10.1002/0471266949.bmc122openalex-snapshot
Multiobjective Optimization for Drug Discovery
inferred← citeshttps://doi.org/10.1002/0471266949.bmc122.pub2openalex-snapshot
Advances in Multiobjective Optimization for Drug Discovery and Development
inferred← citeshttps://doi.org/10.1002/0471266949.bmc265openalex-snapshot
Fragment‐Based Lead Discovery
inferred← citeshttps://doi.org/10.1002/0471266949.bmc301openalex-snapshot
Docking, Scoring, and Virtual Screening in Drug Discovery
inferred← citeshttps://doi.org/10.1002/9780470025079.chap96.pub2openalex-snapshot
Rational Drug Design of Small Molecule Anticancer Agents: Preclinical Discovery
inferred← citeshttps://doi.org/10.1002/9780470027318.a1918.pub2openalex-snapshot
Quantitative Structure–Activity Relationships and Computational Methods in Drug Discovery
inferred← citeshttps://doi.org/10.1002/9780470027318.a1918.pub3openalex-snapshot
Quantitative Structure‐Activity Relationships and Computational Methods in Drug Discovery
inferred← citeshttps://doi.org/10.1002/9780470041000.cedt001openalex-snapshot
The Drug Discovery Process
inferred← citeshttps://doi.org/10.1002/9780470048672.wecb072openalex-snapshot
Chemical Libraries: Screening for Biologically Active Small Molecules
inferred← citeshttps://doi.org/10.1002/9780470131862.ch3openalex-snapshot
Virtual Screening in Drug Discovery
inferred← citeshttps://doi.org/10.1002/9780470584170.ch2openalex-snapshot
High Throughput Screening Approach to Lead Discovery
inferred← citeshttps://doi.org/10.1002/9780470584170.ch9openalex-snapshot
Role of Chemistry in Lead Discovery
inferred← citeshttps://doi.org/10.1002/9780470721551.ch1openalex-snapshot
Introduction to Fragment‐Based Drug Discovery
inferred← citeshttps://doi.org/10.1002/9780470892107.ch17openalex-snapshot
In SilicoMethods for the Analysis of Metabolites and Drug Molecules
inferred← citeshttps://doi.org/10.1002/9780470915110.ch11openalex-snapshot
Fragment‐Based Drug Design: Considerations for Good ADME Properties
inferred← citeshttps://doi.org/10.1002/9780470915110.ch2openalex-snapshot
In SilicoADME/Tox Predictions
inferred← citeshttps://doi.org/10.1002/9781118354339.ch15openalex-snapshot
Strategy in Drug Discovery and Development
inferred← citeshttps://doi.org/10.1002/9781118407738.ch2openalex-snapshot
Mechanism of Drug Action: Basic Concepts
inferred← citeshttps://doi.org/10.1002/9781118742785.ch11openalex-snapshot
DEVELOPMENT AND APPLICATIONS OF GLOBAL ADMET MODELS
inferred← citeshttps://doi.org/10.1002/9781118742785.ch13openalex-snapshot
APPLICATIONS OF CHEMINFORMATICS IN PHARMACEUTICAL RESEARCH
inferred← citeshttps://doi.org/10.1002/9781118742785.ch9openalex-snapshot
USING CHEMOINFORMATICS TOOLS TO ANALYZE CHEMICAL ARRAYS IN LEAD OPTIMIZATION
inferred← citeshttps://doi.org/10.1002/9781118742921.ch2.2openalex-snapshot
Combinatorial Chemistry Library Design
inferred← citeshttps://doi.org/10.1002/9781118771723.ch11openalex-snapshot
Advances in the Understanding of Drug Properties in Medicinal Chemistry
inferred← citeshttps://doi.org/10.1002/9781118771723.ch12openalex-snapshot
Recent Developments in Automated Solution Phase Library Production
inferred← citeshttps://doi.org/10.1002/9781118771723.ch7openalex-snapshot
Computational Techniques to Support Hit Triage
inferred← citeshttps://doi.org/10.1002/9781118783344.ch6openalex-snapshot
Maximizing the Power of a Local Model for ADMET‐Property Prediction
inferred← citeshttps://doi.org/10.1002/9781118832738.ch11openalex-snapshot
Begin with the End in Mind
inferred← citeshttps://doi.org/10.1002/9783527610754.sa01openalex-snapshot
High‐Throughput Crystallography
inferred← citeshttps://doi.org/10.1002/9783527610907.ch4openalex-snapshot
Library Screening Using Ultrafiltration and Mass Spectrometry
inferred← citeshttps://doi.org/10.1002/9783527618279.ch44bopenalex-snapshot
Chemoinformatics and the Quest for Leads in Drug Discovery
inferred← citeshttps://doi.org/10.1002/9783527619368.ch19openalex-snapshot
Efficient Strategies for Lead Optimization by Simultaneously Addressing Affinity, Selectivity and Pharmacokinetic Parameters
inferred← citeshttps://doi.org/10.1002/9783527621286.ch17openalex-snapshot
Properties Guiding Drug‐ and Lead‐Likeness
inferred← citeshttps://doi.org/10.1002/9783527626816.ch9openalex-snapshot
Learning to Relate Structural Space to Property Space
inferred← citeshttps://doi.org/10.1002/9783527633326.ch12openalex-snapshot
Applications and Success Stories in Virtual Screening
inferred← citeshttps://doi.org/10.1002/9783527633326.ch2openalex-snapshot
Preparing and Filtering Compound Databases for Virtual and Experimental Screening
inferred← citeshttps://doi.org/10.1002/9783527645947.ch15openalex-snapshot
Prospects of Modulating Protein–Protein Interactions
inferred← citeshttps://doi.org/10.1002/9783527673025.ch6openalex-snapshot
Thermodynamics in Lead Optimization
inferred← citeshttps://doi.org/10.1002/9783527677016.ch12openalex-snapshot
De NovoDesign of Ligands against Multitarget Profiles
inferred← citeshttps://doi.org/10.1002/9783527677016.ch14openalex-snapshot
Coping with Combinatorial Space in Molecular Design
inferred← citeshttps://doi.org/10.1002/9783527677016.ch6openalex-snapshot
Hit and Lead Identification from Fragments
inferred← citeshttps://doi.org/10.1002/9783527677047.ch01openalex-snapshot
Introduction: Learnings from the Past – Characteristics of Successful Leads
inferred← citeshttps://doi.org/10.1002/9783527683604.ch17openalex-snapshot
Fragment‐Based Discovery of Inhibitors of Lactate Dehydrogenase A
inferred← citeshttps://doi.org/10.1002/9783527806539.ch6aopenalex-snapshot
Drug Discovery: An Overview
inferred← citeshttps://doi.org/10.1002/adsc.201000721openalex-snapshot
Iridium‐Catalyzed Asymmetric Allylic Amination with Polar Amines: Access to Building Blocks with Lead‐Like Molecular Properties
inferred← citeshttps://doi.org/10.1002/ange.200200539openalex-snapshot
Anwendung und Grenzen kristallographischer Daten im strukturbezogenen Liganden‐ und Wirkstoff‐Design
inferred← citeshttps://doi.org/10.1002/anie.200200539openalex-snapshot
Application and Limitations of X‐ray Crystallographic Data in Structure‐Based Ligand and Drug Design
inferred← citeshttps://doi.org/10.1002/aris.2009.1440430108openalex-snapshot
Similarity methods in chemoinformatics
inferred← citeshttps://doi.org/10.1002/asia.201800803openalex-snapshot
A Chemometric Analysis of Compounds from Native New Zealand Medicinal Flora
inferred← citeshttps://doi.org/10.1002/bip.20993openalex-snapshot
A poke in the eye: Inhibiting HIV‐1 protease through its flap‐recognition pocket
inferred← citeshttps://doi.org/10.1002/bkcs.11478openalex-snapshot
Strategic Expansion and Management of Chemical Libraries for Drug Discovery
inferred← citeshttps://doi.org/10.1002/cbdv.201200302openalex-snapshot
Front‐Loading Natural‐Product‐Screening Libraries for log P: Background, Development, and Implementation
inferred← citeshttps://doi.org/10.1002/cbdv.202500361openalex-snapshot
Design of Colchicine‐Based Tubulin Inhibitors as Anticancer Agents by In Silico Analysis of Colchicine‐Based Tubulin Inhibitors: 3D‐QSAR, Molecular Docking, and Molecular Dynamics Simulations for Anticancer Drug Development
inferred← citeshttps://doi.org/10.1002/cbdv.202502030openalex-snapshot
Synthesis, Molecular Docking Analysis, and In Vitro Cytotoxic Evaluation of New Fluorinated γ‐Butyrolactone‐Aza‐Anthraquinone Compounds
inferred← citeshttps://doi.org/10.1002/cbic.200400188openalex-snapshot
The Discovery of Novel Protein Kinase Inhibitors by Using Fragment‐Based High‐Throughput X‐ray Crystallography
inferred← citeshttps://doi.org/10.1002/cbic.201402440openalex-snapshot
Scaffold Hopping with Virtual Screening from IP3 to a Drug‐Like Partial Agonist of the Inositol Trisphosphate Receptor
inferred← citeshttps://doi.org/10.1002/cbic.201800751openalex-snapshot
Smart Design of Small‐Molecule Libraries: When Organic Synthesis Meets Cheminformatics
inferred← citeshttps://doi.org/10.1002/ceat.202000274openalex-snapshot
A Pathway to First Crystals for Substances Prone to Liquid‐Liquid Phase Separation
inferred← citeshttps://doi.org/10.1002/chem.201903232openalex-snapshot
The Symbiotic Relationship Between Drug Discovery and Organic Chemistry
inferred← citeshttps://doi.org/10.1002/chem.202502928openalex-snapshot
Bicyclic 1,4‐Dioxepanes for Drug Discovery: Multigram Synthesis, Physicochemical, and Structural Characterization
inferred← citeshttps://doi.org/10.1002/chin.200148233openalex-snapshot
ChemInform Abstract: Is There a Difference Between Leads and Drugs? A Historical Perspective.
inferred← citeshttps://doi.org/10.1002/cmdc.200500102openalex-snapshot
FlexNovo : Structure‐Based Searching in Large Fragment Spaces
inferred← citeshttps://doi.org/10.1002/cmdc.200600031openalex-snapshot
The Discovery of CCR5 Receptor Antagonists for the Treatment of HIV Infection: Hit‐to‐Lead Studies
inferred← citeshttps://doi.org/10.1002/cmdc.200600168openalex-snapshot
In Silico ADMET Traffic Lights as a Tool for the Prioritization of HTS Hits
inferred← citeshttps://doi.org/10.1002/cmdc.200700139openalex-snapshot
Lessons Learnt from Assembling Screening Libraries for Drug Discovery for Neglected Diseases
inferred← citeshttps://doi.org/10.1002/cmdc.200900050openalex-snapshot
A Practical Method for Targeted Library Design Balancing Lead‐like Properties with Diversity
inferred← citeshttps://doi.org/10.1002/cmdc.201100490openalex-snapshot
Experimental and Computational Active Site Mapping as a Starting Point to Fragment‐Based Lead Discovery
inferred← citeshttps://doi.org/10.1002/ejoc.70596openalex-snapshot
Cyclic Sulfamates Through [5 + 1] Cyclization of Sulfuryl Fluoride and Salicylic Amides: Synthesis and Functionalization
inferred← citeshttps://doi.org/10.1002/ijch.201400072openalex-snapshot
Iterative Stochastic Elimination for Solving Complex Combinatorial Problems in Drug Discovery
inferred← citeshttps://doi.org/10.1002/jhet.3201openalex-snapshot
Synthesis and Molecular Drug Efficacy of Indoline‐based Dihydroxy‐thiocarbamides: Inflammation Regulatory Property Unveiled over COX‐2 Inhibition, Molecular Docking, and Cytotoxicity Prospects
inferred← citeshttps://doi.org/10.1002/minf.200900009openalex-snapshot
Target Profile Prediction: Cross‐Activation of Peroxisome Proliferator‐Activated Receptor (PPAR) and Farnesoid X Receptor (FXR)
inferred← citeshttps://doi.org/10.1002/minf.201100020openalex-snapshot
A Comparative Study on the Constitutive Properties of Marketed Pesticides
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/minf.201200103openalex-snapshot
Wine Compounds as a Source for HTS Screening Collections. A Feasibility Study
inferred← citeshttps://doi.org/10.1002/nadc.20050531217openalex-snapshot
Fragmentscreening mit NMR‐Spektroskopie
inferred← citeshttps://doi.org/10.1002/prot.10266openalex-snapshot
Pharmacophore‐based molecular docking to account for ligand flexibility
inferred← citeshttps://doi.org/10.1002/prot.20057openalex-snapshot
Virtual screening for inhibitors of human aldose reductase
inferred← citeshttps://doi.org/10.1002/prot.20173openalex-snapshot
A minimalist approach to fragment‐based ligand design using common rings and linkers: Application to kinase inhibitors
inferred← citeshttps://doi.org/10.1002/prot.21296openalex-snapshot
Strategies to search and design stabilizers of protein–protein interactions: A feasibility study
inferred← citeshttps://doi.org/10.1002/ps.5037openalex-snapshot
Physicochemical property guidelines for modern agrochemicals
inferred← citeshttps://doi.org/10.1002/qsar.200520136openalex-snapshot
Compound Selection and Filtering in Library Design
inferred← citeshttps://doi.org/10.1002/qsar.200810178openalex-snapshot
Designing a Combinatorial Library by Using Reagent Pharmacophore Fingerprint
inferred← citeshttps://doi.org/10.1002/slct.201802138openalex-snapshot
Synthesis, In Silico and In Vitro Studies of Potential Glucosamine‐6‐phosphate Synthase and Lanosterol‐14α‐demethylase Inhibitors
inferred← citeshttps://doi.org/10.1007/1-4020-4407-0_3openalex-snapshot
Introduction to Fragment Screening
inferred← citeshttps://doi.org/10.1007/1-4020-4407-0_5openalex-snapshot
Fragment-Based Screening by X-ray Crystallography
inferred← citeshttps://doi.org/10.1007/128_2011_179openalex-snapshot
Fragment Screening Using X-Ray Crystallography
inferred← citeshttps://doi.org/10.1007/128_2011_183openalex-snapshot
Combining NMR and X-ray Crystallography in Fragment-Based Drug Discovery: Discovery of Highly Potent and Selective BACE-1 Inhibitors
inferred← citeshttps://doi.org/10.1007/7355_2009_3openalex-snapshot
Lead Discovery Using Virtual Screening
inferred← citeshttps://doi.org/10.1007/7355_2009_4openalex-snapshot
Overview of Hit to Lead: The Medicinal Chemist's Role from HTS Retest to Lead Optimization Hand Off
inferred← citeshttps://doi.org/10.1007/978-0-387-44961-6_5openalex-snapshot
Solubility, Solubilization and Dissolution in Drug Delivery During Lead Optimization
inferred← citeshttps://doi.org/10.1007/978-1-4419-9254-3_5openalex-snapshot
Calcium Channel Blocking Polypeptides
inferred← citeshttps://doi.org/10.1007/978-1-4939-7465-8_11openalex-snapshot
Methods for Virtual Screening of GPCR Targets: Approaches and Challenges
inferred← citeshttps://doi.org/10.1007/978-1-59259-976-9_3openalex-snapshot
Automated Analyses of HPLC Profiles of Microbial Extracts
inferred← citeshttps://doi.org/10.1007/978-1-60327-101-1_12openalex-snapshot
The Extraction of Information and Knowledge from Trained Neural Networks
inferred← citeshttps://doi.org/10.1007/978-1-60761-274-2_2openalex-snapshot
Compound Library Design for Target Families
inferred← citeshttps://doi.org/10.1007/978-1-60761-839-3_1openalex-snapshot
Some Trends in Chem(o)informatics
inferred← citeshttps://doi.org/10.1007/978-1-60761-839-3_16openalex-snapshot
Methods for Combinatorial and Parallel Library Design
inferred← citeshttps://doi.org/10.1007/978-1-60761-839-3_9openalex-snapshot
Fragment Descriptors in Structure–Property Modeling and Virtual Screening
inferred← citeshttps://doi.org/10.1007/978-1-60761-931-4_7openalex-snapshot
Combinatorial Library Design from Reagent Pharmacophore Fingerprints
inferred← citeshttps://doi.org/10.1007/978-1-62703-342-8_10openalex-snapshot
The Collaborative Drug Discovery (CDD) Database
inferred← citeshttps://doi.org/10.1007/978-1-62703-342-8_16openalex-snapshot
Computational Models for Tuberculosis Drug Discovery
inferred← citeshttps://doi.org/10.1007/978-3-030-16272-6openalex-snapshot
High-Performance Modelling and Simulation for Big Data Applications
inferred← citeshttps://doi.org/10.1007/978-3-030-16272-6_9openalex-snapshot
Cloud-Based High Throughput Virtual Screening in Novel Drug Discovery
inferred← citeshttps://doi.org/10.1007/978-3-031-29119-7_7openalex-snapshot
CDGCN: Conditional de novo Drug Generative Model Using Graph Convolution Networks
inferred← citeshttps://doi.org/10.1007/978-3-319-50042-3_6openalex-snapshot
Integrated Lead Optimization: Translational Models as We Advance Toward the Clinic
inferred← citeshttps://doi.org/10.1007/978-3-642-01536-6_11openalex-snapshot
Classification of Complex Molecules
inferred← citeshttps://doi.org/10.1007/978-3-642-04031-3_29openalex-snapshot
Drugs and Drug-Like Compounds: Discriminating Approved Pharmaceuticals from Screening-Library Compounds
inferred← citeshttps://doi.org/10.1007/978-3-642-28175-4_5openalex-snapshot
Natural Product-Based Drug Discovery in Africa: The Need for Integration into Modern Drug Discovery Paradigms
inferred← citeshttps://doi.org/10.1007/978-3-642-28965-1_1openalex-snapshot
Protein-Protein Interactions as Drug Targets
inferred← citeshttps://doi.org/10.1007/978-3-662-05314-0_5openalex-snapshot
High-Throughput X-Ray Techniques and Drug Discovery
inferred← citeshttps://doi.org/10.1007/978-981-13-1562-6_10openalex-snapshot
Structural Bioinformatics: Life Through The 3D Glasses
inferred← citeshttps://doi.org/10.1007/978-981-33-6191-1_10openalex-snapshot
Chemoinformatics and QSAR
inferred← citeshttps://doi.org/10.1007/s00044-012-0116-9openalex-snapshot
Synthesis and biological evaluation of new curcumin derivatives as antioxidant and antitumor agents
inferred← citeshttps://doi.org/10.1007/s00044-017-2060-1openalex-snapshot
Integrated in silico–in vitro screening of ovarian cancer peroxisome proliferator-activated receptor-γ agonists against a biogenic compound library
inferred← citeshttps://doi.org/10.1007/s00044-021-02812-8openalex-snapshot
Inhibition of protein kinases by proton pump inhibitors: computational screening and in vitro evaluation
inferred← citeshttps://doi.org/10.1007/s00216-011-5225-7openalex-snapshot
Screening a fragment cocktail library using ultrafiltration
inferred← citeshttps://doi.org/10.1007/s00705-019-04153-9openalex-snapshot
Examining pharmacodynamic and pharmacokinetic properties of eleven analogues of saquinavir for HIV protease inhibition
inferred← citeshttps://doi.org/10.1007/s00706-020-02619-0openalex-snapshot
Cyclopropyl boronic derivatives in parallel synthesis of sp3-enriched compound libraries
inferred← citeshttps://doi.org/10.1007/s00894-009-0521-2openalex-snapshot
Probing ligand binding modes of Mycobacterium tuberculosis MurC ligase by molecular modeling, dynamics simulation and docking
inferred← citeshttps://doi.org/10.1007/s10822-006-9060-4openalex-snapshot
Development and validation of a modular, extensible docking program: DOCK 5
inferred← citeshttps://doi.org/10.1007/s10822-007-9105-3openalex-snapshot
Lead-like, drug-like or “Pub-like”: how different are they?
inferred← citeshttps://doi.org/10.1007/s10822-007-9167-2openalex-snapshot
Optimization of CAMD techniques 3. Virtual screening enrichment studies: a help or hindrance in tool selection?
inferred← citeshttps://doi.org/10.1007/s10822-008-9221-8openalex-snapshot
CONFIRM: connecting fragments found in receptor molecules
inferred← citeshttps://doi.org/10.1007/s10822-009-9281-4openalex-snapshot
Virtual fragment screening: an exploration of various docking and scoring protocols for fragments using Glide
inferred← citeshttps://doi.org/10.1007/s10822-010-9396-7openalex-snapshot
In silico strategies for the selection of chelating compounds with potential application in metal-promoted neurodegenerative diseases
inferred← citeshttps://doi.org/10.1007/s10822-012-9590-xopenalex-snapshot
Virtual fragment screening: exploration of MM-PBSA re-scoring
inferred← citeshttps://doi.org/10.1007/s10822-013-9683-1openalex-snapshot
The importance of molecular complexity in the design of screening libraries
inferred← citeshttps://doi.org/10.1007/s10822-026-00787-5openalex-snapshot
Virtual screening of compounds for the development of thyroid hormone analogues for potential application in cardiac regeneration
inferred← citeshttps://doi.org/10.1007/s10910-010-9745-8openalex-snapshot
Application of Shannon-like diversity measures to cell-based chemistry spaces
inferred← citeshttps://doi.org/10.1007/s11030-006-9040-6openalex-snapshot
Leadlikeness and structural diversity of synthetic screening libraries
inferred← citeshttps://doi.org/10.1007/s11030-009-9112-5openalex-snapshot
Fragment-based QSAR: perspectives in drug design
inferred← citeshttps://doi.org/10.1007/s11030-017-9747-6openalex-snapshot
Identification of potential trypanothione reductase inhibitors among commercially available $$\upbeta $$ β -carboline derivatives using chemical space, lead-like and drug-like filters, pharmacophore models and molecular docking
inferred← citeshttps://doi.org/10.1007/s11030-021-10218-2openalex-snapshot
One-pot parallel synthesis of 1,3,5-trisubstituted 1,2,4-triazoles
inferred← citeshttps://doi.org/10.1007/s11030-021-10343-yopenalex-snapshot
Analysis of the uncharted, druglike property space by self-organizing maps
inferred← citeshttps://doi.org/10.1007/s11095-011-0413-xopenalex-snapshot
Validating New Tuberculosis Computational Models with Public Whole Cell Screening Aerobic Activity Datasets
inferred← citeshttps://doi.org/10.1007/s11095-011-0486-6openalex-snapshot
Finding Promiscuous Old Drugs for New Uses
inferred← citeshttps://doi.org/10.1007/s11164-012-0993-zopenalex-snapshot
Tridentate bipyrazole compounds with a side-arm as a new class of antitumor agents
inferred← citeshttps://doi.org/10.1007/s11306-014-0733-zopenalex-snapshot
A ‘rule of 0.5’ for the metabolite-likeness of approved pharmaceutical drugs
inferred← citeshttps://doi.org/10.1007/s12010-022-04040-1openalex-snapshot
Interaction of Bioactive Compounds of Moringa oleifera Leaves with SARS-CoV-2 Proteins to Combat COVID-19 Pathogenesis: a Phytochemical and In Silico Analysis
inferred← citeshttps://doi.org/10.1007/s12039-016-1069-1openalex-snapshot
Dynamic ligand-based pharmacophore modeling and virtual screening to identify mycobacterial cyclopropane synthase inhibitors
inferred← citeshttps://doi.org/10.1007/s12539-014-0244-7openalex-snapshot
Computational analysis of the domain architecture and substrate-gating mechanism of prolyl oligopeptidases from Shewanella woodyi and identification probable lead molecules
inferred← citeshttps://doi.org/10.1007/s12539-015-0282-9openalex-snapshot
Computational Analysis of the Domain Architecture and Substrate-Gating Mechanism of Prolyl Oligopeptidases from Shewanella woodyi and Identification of Probable Lead Molecules
inferred← citeshttps://doi.org/10.1007/s13205-019-1962-7openalex-snapshot
FlavoDb: a web-based chemical repository of flavonoid compounds
inferred← citeshttps://doi.org/10.1007/s13205-019-2038-4openalex-snapshot
Exploring genetic targets of psoriasis using genome wide association studies (GWAS) for drug repurposing
inferred← citeshttps://doi.org/10.1007/s13318-011-0073-6openalex-snapshot
Comparative pharmacokinetics of senkyunolide I in a rat model of migraine versus normal controls
inferred← citeshttps://doi.org/10.1007/s13721-013-0040-zopenalex-snapshot
Molecular docking and simulation studies towards exploring antiviral compounds against envelope protein of Japanese encephalitis virus
inferred← citeshttps://doi.org/10.1007/s13721-018-0166-0openalex-snapshot
A new insight into identification of in silico analysis of natural compounds targeting GPR120
inferred← citeshttps://doi.org/10.1007/s13721-020-00262-7openalex-snapshot
In silico molecular studies of natural compounds as possible anti-Alzheimer’s agents: ligand-based design
inferred← citeshttps://doi.org/10.1007/s40203-023-00174-0openalex-snapshot
Exploring the viral protease inhibitor space driven by consensus scoring-based virtual screening
inferred← citeshttps://doi.org/10.1007/s42250-022-00347-yopenalex-snapshot
Synthesis, Docking and Antibacterial Evaluation of N-(1-(3-Fluoro-4-morpholinophenyl)-1H-tetrazol-5-yl) Amides
inferred← citeshttps://doi.org/10.1016/b0-08-045044-x/00002-xopenalex-snapshot
Drug Discovery: Historical Perspective, Current Status, and Outlook
inferred← citeshttps://doi.org/10.1016/b0-08-045044-x/00114-0openalex-snapshot
Fragment-Based Approaches
inferred← citeshttps://doi.org/10.1016/b0-08-045044-x/00140-1openalex-snapshot
Use of Molecular Descriptors for Absorption, Distribution, Metabolism, and Excretion Predictions
inferred← citeshttps://doi.org/10.1016/b0-08-045044-x/00156-5openalex-snapshot
In Silico Models to Predict QT Prolongation
inferred← citeshttps://doi.org/10.1016/b0-08-045044-x/00249-2openalex-snapshot
Compound Selection Using Measures of Similarity and Dissimilarity
inferred← citeshttps://doi.org/10.1016/b0-08-045044-x/00256-xopenalex-snapshot
Library Design: Ligand and Structure-Based Principles for Parallel and Combinatorial Libraries
inferred← citeshttps://doi.org/10.1016/b0-08-045044-x/00257-1openalex-snapshot
Library Design: Reactant and Product-Based Approaches
inferred← citeshttps://doi.org/10.1016/b0-08-045044-x/00261-3openalex-snapshot
Lead Discovery and the Concepts of Complexity and Lead-Likeness in the Evolution of Drug Candidates
inferred← citeshttps://doi.org/10.1016/b0-08-045044-x/00277-7openalex-snapshot
New Applications for Structure-Based Drug Design
inferred← citeshttps://doi.org/10.1016/b978-0-08-051337-9.50007-9openalex-snapshot
Drug Discovery, Design, and Development
inferred← citeshttps://doi.org/10.1016/b978-0-08-102690-8.00062-2openalex-snapshot
The Identification of Bioactive Natural Products by High Throughput Screening (HTS)
inferred← citeshttps://doi.org/10.1016/b978-0-12-373861-5.00001-1openalex-snapshot
The Discovery and Development of Pharmacotherapy for Psychiatric Disorders: A Critical Survey of Animal and Translational Models and Perspectives for Their Improvement
inferred← citeshttps://doi.org/10.1016/b978-0-12-374194-3.00010-xopenalex-snapshot
In Silico Screening
inferred← citeshttps://doi.org/10.1016/b978-0-12-374194-3.00025-1openalex-snapshot
Pharmacological Space
inferred← citeshttps://doi.org/10.1016/b978-0-12-381274-2.00007-8openalex-snapshot
How to Avoid Rediscovering the Known
inferred← citeshttps://doi.org/10.1016/b978-0-12-382030-3.00002-7openalex-snapshot
Lead Discovery and Lead Modification
inferred← citeshttps://doi.org/10.1016/b978-0-12-396521-9.00001-2openalex-snapshot
Modern Cancer Drug Discovery
inferred← citeshttps://doi.org/10.1016/b978-0-12-409547-2.02568-3openalex-snapshot
Library Design: Reactant and Product-Based Approaches
inferred← citeshttps://doi.org/10.1016/b978-0-12-409547-2.12313-3openalex-snapshot
Hit and Lead Generation Strategies
inferred← citeshttps://doi.org/10.1016/b978-0-12-409547-2.12315-7openalex-snapshot
Multiobjective Optimization of Biological and Physical Properties in Drug Discovery
inferred← citeshttps://doi.org/10.1016/b978-0-12-409547-2.12342-xopenalex-snapshot
Predicting Target and Chemical Druggability
inferred← citeshttps://doi.org/10.1016/b978-0-12-417205-0.00015-8openalex-snapshot
Compound Properties and their Influence on Drug Quality
inferred← citeshttps://doi.org/10.1016/b978-0-12-417205-0.00016-xopenalex-snapshot
Pharmacological Space
inferred← citeshttps://doi.org/10.1016/b978-0-12-801076-1.00004-6openalex-snapshot
Prediction Rules for Rapid Property Profiling from Structure
inferred← citeshttps://doi.org/10.1016/b978-0-12-812364-5.00006-7openalex-snapshot
High-Throughput Screening of Phytochemicals: Application of Computational Methods
inferred← citeshttps://doi.org/10.1016/b978-0-12-818349-6.00004-2openalex-snapshot
Virtual screening of small-molecule libraries
inferred← citeshttps://doi.org/10.1016/b978-0-12-822312-3.00012-6openalex-snapshot
Application of Docking for Lead Optimization
inferred← citeshttps://doi.org/10.1016/b978-0-323-85681-2.00008-2openalex-snapshot
In silico validation and ADMET analysis for the best lead molecules
inferred← citeshttps://doi.org/10.1016/b978-0-323-90264-9.00024-6openalex-snapshot
Advances in structure-based virtual screening for drug discovery
inferred← citeshttps://doi.org/10.1016/b978-0-443-16102-5.00008-0openalex-snapshot
High throughput screening of phytochemicals: Application of computational methods
inferred← citeshttps://doi.org/10.1016/b978-0-443-19088-9.00016-0openalex-snapshot
CNS muscarinic receptors and muscarinic receptor agonists in Alzheimer disease treatment
inferred← citeshttps://doi.org/10.1016/b978-0-443-29808-0.00014-5openalex-snapshot
Multiobjective optimization of biological and physical properties in drug discovery
inferred← citeshttps://doi.org/10.1016/b978-0-443-29808-0.00084-4openalex-snapshot
Predicting target and chemical druggability
inferred← citeshttps://doi.org/10.1016/b978-0-7020-4299-7.00009-3openalex-snapshot
The role of medicinal chemistry in the drug discovery process
inferred← citeshttps://doi.org/10.1016/b978-008045382-8.00062-9openalex-snapshot
The Identification of Bioactive Natural Products by High Throughput Screening (HTS)
showing the first 200 of 742 · page through all 742
Editorial review for independent work. ICSAC — the Institute for Complexity
Science and Advanced Computing — runs a structured editorial panel for researchers
publishing outside journals, and publishes on CiteStamp rails. Submission is free
and goes through ORCID: icsacinstitute.org/submit.