LEADD: Lamarckian evolutionary algorithm for de novo drug design (Q111792924)

https://opencitations.net/index/coci/api/v1/citations/10.1021/C160017A018

GroupBuild: a fragment-based method for de novo drug design

15 October 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-022-00582-Y

Counterexamples in chemical ring perception.

10 December 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-022-00582-Y

Pfizer Global Virtual Library (PGVL): a chemistry design tool powered by experimentally validated parallel synthesis information

10 December 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-022-00582-Y

The analysis of ranked data derived from completely randomized factorial designs

10 December 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-022-00582-Y

Flux (1): a virtual synthesis scheme for fragment-based de novo design.

10 December 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-022-00582-Y

Estimation of the size of drug-like chemical space based on GDB-17 data.

10 December 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-022-00582-Y

Mapping of the Available Chemical Space versus the Chemical Universe of Lead-like Compounds

10 December 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-022-00582-Y

LigBuilder 2: a practical de novo drug design approach

10 December 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-022-00582-Y

LEA3D: a computer-aided ligand design for structure-based drug design.

10 December 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-022-00582-Y

The art and practice of structure-based drug design: A molecular modeling perspective

10 December 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-022-00582-Y

Cheminformatics Analysis of Organic Substituents: Identification of the Most Common Substituents, Calculation of Substituent Properties, and Automatic Identification of Drug-Like Bioisosteric Groups

10 December 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-022-00582-Y

A graph-based genetic algorithm and generative model/Monte Carlo tree search for the exploration of chemical space

10 December 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-022-00582-Y

The Synthesizability of Molecules Proposed by Generative Models

10 December 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-022-00582-Y

Enumeration of 166 billion organic small molecules in the chemical universe database GDB-17.

10 December 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-022-00582-Y

AutoGrow4: an open-source genetic algorithm for de novo drug design and lead optimization

10 December 2022

2 references

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-022-00582-Y

10 December 2022

https://opencitations.net/index/coci/api/v1/citations/10.1186/S13321-020-00429-4

A genetic algorithm for structure-based de novo design

10 December 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-022-00582-Y

Estimation of synthetic accessibility score of drug-like molecules based on molecular complexity and fragment contributions

10 December 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-022-00582-Y

De novo design of molecular architectures by evolutionary assembly of drug-derived building blocks

10 December 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-022-00582-Y

GuacaMol: Benchmarking Models for de Novo Molecular Design

10 December 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-022-00582-Y

Big Data from Pharmaceutical Patents: A Computational Analysis of Medicinal Chemists' Bread and Butter

10 December 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-022-00582-Y

Automatic Chemical Design Using a Data-Driven Continuous Representation of Molecules.

10 December 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-022-00582-Y

ZINC 15--Ligand Discovery for Everyone

10 December 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-022-00582-Y

De novo drug design using multiobjective evolutionary graphs.

10 December 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-022-00582-Y

A genetic algorithm for the automated generation of small organic molecules: drug design using an evolutionary algorithm.

10 December 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-022-00582-Y

Concept of combinatorial de novo design of drug-like molecules by particle swarm optimization

10 December 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-022-00582-Y

De novo design of drug-like molecules by a fragment-based molecular evolutionary approach

10 December 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-022-00582-Y

Reinforced Adversarial Neural Computer for de Novo Molecular Design

10 December 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-022-00582-Y

On a Test of Whether one of Two Random Variables is Stochastically Larger than the Other

10 December 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-022-00582-Y

Bidirectional Molecule Generation with Recurrent Neural Networks

10 December 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-022-00582-Y

LigMerge: a fast algorithm to generate models of novel potential ligands from sets of known binders

10 December 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-022-00582-Y

Extended-connectivity fingerprints

10 December 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-022-00582-Y

Fragment-based de novo ligand design by multiobjective evolutionary optimization

10 December 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-022-00582-Y

SYNOPSIS: SYNthesize and OPtimize System in Silico

10 December 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-022-00582-Y

A genetic algorithm for the automated generation of molecules within constraints.

10 December 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-022-00582-Y

Planning chemical syntheses with deep neural networks and symbolic AI.

10 December 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-022-00582-Y

DOGS: reaction-driven de novo design of bioactive compounds

10 December 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-022-00582-Y

ChEMBL: a large-scale bioactivity database for drug discovery

10 December 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-022-00582-Y

SCUBIDOO: A Large yet Screenable and Easily Searchable Database of Computationally Created Chemical Compounds Optimized toward High Likelihood of Synthetic Tractability

10 December 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-022-00582-Y

Computer-based de novo design of drug-like molecules

10 December 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-022-00582-Y

Comparison of Shape-Matching and Docking as Virtual Screening Tools

10 December 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-022-00582-Y

Stochastic voyages into uncharted chemical space produce a representative library of all possible drug-like compounds

10 December 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-022-00582-Y

Analysis of Past and Present Synthetic Methodologies on Medicinal Chemistry: Where Have All the New Reactions Gone?

10 December 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-022-00582-Y

Rectangular Confidence Regions for the Means of Multivariate Normal Distributions

10 December 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-022-00582-Y

SPROUT, HIPPO and CAESA: Tools for de novo structure generation and estimation of synthetic accessibility

10 December 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-022-00582-Y

Use of Ranks in One-Criterion Variance Analysis

10 December 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-022-00582-Y

10.1186/S13321-022-00582-Y

10 December 2022

Identifiers

DOI

1 reference

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