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Record W1481650403 · doi:10.1002/9781118618110.ch8

Macrocycles as Templates for Diversity Generation in Drug Discovery

2013· other· en· W1481650403 on OpenAlexaff
Éric Marsault

Bibliographic record

VenueDiversity Oriented Synthesis · 2013
Typeother
Languageen
FieldBiochemistry, Genetics and Molecular Biology
TopicChemical Synthesis and Analysis
Canadian institutionsUniversité de Sherbrooke
Fundersnot available
KeywordsDruggabilityDiversification (marketing strategy)Drug discoveryDiversity (politics)TemplateComputer scienceData scienceNanotechnologyBiologyBioinformaticsBusinessPolitical scienceMaterials science

Abstract

fetched live from OpenAlex

Macrocycles have the potential to tackle targets that represent high-hanging fruits in terms of druggability; however, they also constitute high-hanging fruit in terms of synthetic challenge and diversity generation. Technologies for macrocycle synthesis and diversification have given rise to several platforms that constitute the foundation of companies incorporated in the last decade. This chapter discusses some general issues inherent to macrocycles and their synthesis, then covers diversity generation strategies that have either demonstrated their potential for drug discovery or that appear very promising among different chemical classes of macrocycles. Multiple approaches reported in the chapter offer new avenues for exploiting and expanding macrocycle diversity. Natural products represent the largest segment of macrocyclic drugs and an important source of new drugs.

Fetched live from OpenAlex and de-inverted. Abstracts are not stored in this database: the inverted indexes are 8.6 GB of the frame’s 9.3 GB of text, and the host has 13 GB free.

How this classification was reachedexpand

Full frame distilled prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. Learned from the 10,348 direct Codex labels and 10,348 direct Gemma labels. Candidate is the union of thresholded teacher heads; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels or direct frontier model labels.

metaresearch head score (Codex)0.000
metaresearch head score (Gemma)0.000
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesMeta-epidemiology (narrow)
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Not applicable · Consensus signal: Not applicable
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.309
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.000
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0000.001
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0010.000

Machine scores (provisional)

The two teacher heads of the student model, read on this work. A score orders the frame for review; it never asserts a category, and the validation status ships verbatim with every row.

Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.

Opus teacher head0.011
GPT teacher head0.218
Teacher spread0.207 · how far apart the two teachers sit on this one work
Validation statusscore_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from it

Classification

machine, unvalidated

Machine predicted; a candidate call from one teacher head, not a consensus.

Study designNot applicable
Domainnot available
GenreEmpirical

How this classification was reached, model by model and score by score, is at the end of the page under "How this classification was reached".

Quick stats

Citations4
Published2013
Admission routes1
Has abstractyes

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