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Molecular Complexity and Its Impact on the Probability of Finding Leads for Drug Discovery
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Outgoing claims: the papers this work cites, builds on, or argues with.
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The Design of Leadlike Combinatorial Libraries
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Template-Mediated Synthesis of Polycyclic Aromatic Hydrocarbons: Cyclodehydrogenation and Planarization of a Hexaphenylbenzene Derivative at a Copper Surface
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The in silico world of virtual libraries
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3D Molecular Interactive Modeling
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/10.1007/978-3-642-33914-1_39openalex-snapshot
About Complexity and Self-Similarity of Chemical Structures in Drug Discovery
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/10.1007/978-94-017-9719-1_14openalex-snapshot
Molecular Obesity, Potency and Other Addictions in Drug Discovery
inferred← citeshttps://doi.org/10.1007/978-981-13-0773-7_6openalex-snapshot
Fragment-Based Drug Discovery for Developing Inhibitors of Protein-Protein Interactions
inferred← citeshttps://doi.org/10.1007/978-981-19-1953-4_5openalex-snapshot
Emerging Role of Structural and Systems Biology in Anticancer Therapeutics
inferred← citeshttps://doi.org/10.1007/978-981-95-2525-6_36openalex-snapshot
Fragment-Based Drug Design
inferred← citeshttps://doi.org/10.1007/978-981-99-1316-9_8openalex-snapshot
Fragment-Based Drug Design in Lead Discovery
inferred← citeshttps://doi.org/10.1007/s00018-003-3382-3openalex-snapshot
Protein NMR in biomedical research
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/s00894-011-1179-0openalex-snapshot
Combinatorially-generated library of 6-fluoroquinolone analogs as potential novel antitubercular agents: a chemometric and molecular modeling assessment
inferred← citeshttps://doi.org/10.1007/s00894-019-4120-6openalex-snapshot
Investigation of 3D pharmacophore of N-benzyl benzamide molecules of melanogenesis inhibitors using a new descriptor Klopman index: uncertainties in model
inferred← citeshttps://doi.org/10.1007/s10158-007-0055-1openalex-snapshot
The challenges of developing novel antiparasitic drugs
inferred← citeshttps://doi.org/10.1007/s10698-026-09564-6openalex-snapshot
Macroscopic foundations of molecular chirality
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/s10822-007-9164-5openalex-snapshot
LASSO—ligand activity by surface similarity order: a new tool for ligand based virtual screening
inferred← citeshttps://doi.org/10.1007/s10822-009-9264-5openalex-snapshot
Design of compound libraries for fragment screening
inferred← citeshttps://doi.org/10.1007/s10822-009-9284-1openalex-snapshot
The multiple roles of computational chemistry in fragment-based drug design
inferred← citeshttps://doi.org/10.1007/s10822-009-9288-xopenalex-snapshot
Fragment-based lead generation: identification of seed fragments by a highly efficient fragment screening technology
inferred← citeshttps://doi.org/10.1007/s10822-009-9292-1openalex-snapshot
Fragment-based drug discovery
inferred← citeshttps://doi.org/10.1007/s10822-009-9297-9openalex-snapshot
Combinatorial library-based design with Basis Products
inferred← citeshttps://doi.org/10.1007/s10822-010-9378-9openalex-snapshot
Rationalizing fragment based drug discovery for BACE1: insights from FB-QSAR, FB-QSSR, multi objective (MO-QSPR) and MIF studies
inferred← citeshttps://doi.org/10.1007/s10822-011-9434-0openalex-snapshot
Design of a multi-purpose fragment screening library using molecular complexity and orthogonal diversity metrics
inferred← citeshttps://doi.org/10.1007/s10822-012-9558-xopenalex-snapshot
A reverse combination of structure-based and ligand-based strategies for virtual screening
inferred← citeshttps://doi.org/10.1007/s10822-012-9631-5openalex-snapshot
Inflation of correlation in the pursuit of drug-likeness
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/s10822-014-9757-8openalex-snapshot
Ligand efficiency metrics considered harmful
inferred← citeshttps://doi.org/10.1007/s10822-016-0002-5openalex-snapshot
The influence of hydrogen bonding on partition coefficients
inferred← citeshttps://doi.org/10.1007/s10822-017-0093-7openalex-snapshot
Congestion game scheduling for virtual drug screening optimization
inferred← citeshttps://doi.org/10.1007/s10858-020-00330-0openalex-snapshot
NMR spectroscopy: the swiss army knife of drug discovery
inferred← citeshttps://doi.org/10.1007/s10969-011-9102-6openalex-snapshot
Leveraging structure determination with fragment screening for infectious disease drug targets: MECP synthase from Burkholderia pseudomallei
inferred← citeshttps://doi.org/10.1007/s11030-006-9033-5openalex-snapshot
Managing, profiling and analyzing a library of 2.6 million compounds gathered from 32 chemical providers
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/s11047-004-5237-8openalex-snapshot
Evolutionary Algorithms in Drug Design
inferred← citeshttps://doi.org/10.1007/s11101-019-09612-4openalex-snapshot
Plant natural fragments, an innovative approach for drug discovery
inferred← citeshttps://doi.org/10.1007/s11356-019-05932-2openalex-snapshot
Essential oils and their bioactive compounds as green preservatives against fungal and mycotoxin contamination of food commodities with special reference to their nanoencapsulation
inferred← citeshttps://doi.org/10.1007/s11704-024-3784-yopenalex-snapshot
MetaGIN: a lightweight framework for molecular property prediction
inferred← citeshttps://doi.org/10.1007/s11705-019-1874-4openalex-snapshot
Easy access to pharmaceutically relevant heterocycles by catalytic reactions involving α-imino gold carbene intermediates
inferred← citeshttps://doi.org/10.1007/s12265-011-9270-6openalex-snapshot
A Chemical Biology Approach to Myocardial Regeneration
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/s13238-015-0225-6openalex-snapshot
Structural basis for inhibition of the Tob-CNOT7 interaction by a fragment screening approach
inferred← citeshttps://doi.org/10.1007/s13596-015-0188-4openalex-snapshot
Evaluation of inhibitory affinity potential of the alkaloids against crystal structure of human angiotensin-converting enzyme using Lamarckian genetic algorithm
inferred← citeshttps://doi.org/10.1007/s13659-023-00395-yopenalex-snapshot
Bioactivity profile of dissolved organic matter and its relation to molecular composition
inferred← citeshttps://doi.org/10.1007/s13659-025-00589-6openalex-snapshot
Nature meets machine: the AI renaissance in natural product drug discovery
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