Table 2 Machine learning models for antibiotic discovery.

Antimicrobial activity prediction

 Artificial neural network⁴⁰

Yes

 Support vector machine³⁸

Yes

 Multinomial logistic regression³³

Yes

 LSTM RNN⁴⁴

Yes

Yes

Yes

Command-line tool

 XGBoost⁴²

Yes

Yes

Yes

Command-line tool

 Directed-message passing neural network¹⁶

Yes

Yes

Yes

Web server, Docker container

 DBSCAN⁴⁷

Yes

Yes

Web server

 DBSCAN⁴⁸

Yes

Web server

 Convolutional neural network⁴¹

Yes

Yes

Web server

 Generalized linear model⁴⁹

 Random forest⁵⁰

Hemolytic activity prediction

 Classification and regression trees⁵⁵

Yes

 Artificial neural network⁵⁴

Yes

Yes

Web server

 Gradient boosting classifiers⁵⁶

Yes

Yes

 Support vector machine¹⁸³

Yes

Yes

Web server, mobile app, standalone

De novo antibiotic design

 Variational autoencoder⁴⁵

Yes

 LSTM RNN³⁰

Yes

Yes

Yes

Command-line tool

 LSTM RNN¹²⁰

 Generative adversarial network¹¹⁹

Yes

Yes

Yes

Command-line tool