Overview
What this category covers
Libraries are expensive to build and easy to design carelessly, and a poorly designed library wastes the screening campaign that follows it. This category covers focused small-molecule libraries sourced from real catalogues, synthetic antibody libraries for display, and combinatorial peptide libraries — each designed so that diversity is placed where it can contribute and the realisable diversity matches what your process can actually deliver.
What we deliver
▸Target-class focused compound libraries with supplier sourcing and availability checking
▸Diversity clustering and coverage analysis for every selection
▸Synthetic and semi-synthetic antibody library designs with codon-level liability control
▸Peptide library design for phage, mRNA display and chemical synthesis
▸Sequence space coverage calculations at your achievable diversity
Who this is for
▸Teams assembling a screening collection for a new programme
▸Groups building display libraries in house
▸Programmes designing focused maturation libraries around a lead
▸Projects needing a library that can be purchased or constructed immediately
How engagements in this category are run
Library projects are constrained by what you can actually build or buy, so the achievable diversity, budget and construction method are established first and the design is built to fit them. Coverage and diversity are calculated rather than assumed, liabilities are excluded at the codon or filter level, and selections are delivered as specifications ready for ordering. We also state plainly what a library of the achievable size can and cannot be expected to sample.
Services
3 computational services in this category
N1
Focused Small Molecule Library Design
Target-class focused library design (kinase, GPCR, protease, epigenetic). Privileged scaffold enumeration, diversity analysis, ADMET pre-filtering, and vendor sourcing.
Learn MoreN3
Antibody Library Design (Synthetic / Semi-Synthetic)
Computational design of synthetic antibody libraries for phage/yeast display. CDR diversity design, library biasing toward target epitopes, in silico library quality assessment.
Learn MoreN4
Peptide Library Design (Combinatorial)
Combinatorial and AI-directed peptide library design for phage display, mRNA display, or chemical synthesis. Diversity analysis, sequence space coverage, and positional scanning.
Learn MoreIn Practice
What a project in this category looks like
Three shapes we are asked for most often. Scope is always set after a feasibility review, so timelines below are typical rather than quoted.
Assembling a purchasable screening collection
The situation
A new programme needs a screening library and the budget allows a few thousand compounds.
What we do
Target class profiling, catalogue assembly and standardisation, property and liability filtering, structure-based biasing where a structure exists, diversity clustering and supplier sourcing.
What you receive
A final compound list with supplier identifiers, price bands and availability, plus diversity and coverage statistics showing what the selection samples.
Typical timeline: 2–5 weeks
Designing a display library that folds and expresses
The situation
A group is building an antibody or peptide library in house and wants the diversity placed where it can contribute.
What we do
Framework selection, paratope structural analysis, repertoire-informed position-specific composition, codon scheme design that avoids stop codons and liability motifs, and in silico assessment of the resulting library.
What you receive
A complete design with oligonucleotide specifications, theoretical and realisable diversity, and predicted proportion of functional, liability-free clones.
Typical timeline: 3–6 weeks
Focused maturation library around a lead
The situation
A lead binder exists and the team wants a small, smart library rather than a large random one.
What we do
Interface analysis to select positions, computational scanning to choose the substitutions worth including, and library specification sized to the screening capacity available.
What you receive
A focused library design with position-by-position composition and an estimate of what fraction of the designed space the screen will actually cover.
Typical timeline: 2–4 weeks
Questions
Asked before we scope this work
Focused or diverse?
Focused when the target class is well precedented and actives are known; diverse when the target is novel. Many programmes run a tiered set combining both, which we can design as one selection.
How much sequence space will a library cover?
For anything beyond about seven randomised residues, a vanishing fraction. We compute the number for your design so the selection strategy is set on realistic expectations.
Do you build the library?
No. We deliver the design and the ordering specifications; construction and selection are carried out by your team or a partner, and we help interpret the sequencing that comes back.
More
Other service categories
Target Identification & Validation5Virtual Screening (Small Molecule)3Small Molecule Design & Optimization2ADMET & Drug-Likeness Prediction4Molecular Dynamics & Simulation3AIDD — Small Molecule Platform2Structure-Based Drug Design (SBDD)3Bioinformatics & Multi-Omics Analysis11Antibody Design & Engineering (AI)5Peptide & Cyclic Peptide Drug Design4Protein Design & Engineering (AI)4ADC & Bioconjugate Design2
Bring us the scientific question, not a service code
Share your target, dataset, sequences or objective. We will recommend a scoped computational plan, the expected deliverables, a timeline and the validation options.
Request a Feasibility Review