14 citations · 26 across the 5 of their papers we have counts for
7 papers
Look the Other Way: Designing 'Positive' Molecules with Negative Data via Task Arithmetic
Rıza Özçelik, Sarah de Ruiter, Francesca Grisoni
The scarcity of molecules with desirable properties (i.e., `positive' molecules) is an inherent bottleneck for generative molecule design. To sidestep such obstacle, here we propos…
How Evaluation Choices Distort the Outcome of Generative Drug Discovery
Rıza Özçelik, Francesca Grisoni
"How to evaluate the de novo designs proposed by a generative model?" Despite the transformative potential of generative deep learning in drug discovery, this seemingly simple ques…
A Hitchhiker's Guide to Deep Chemical Language Processing for Bioactivity Prediction
Rıza Özçelik, Francesca Grisoni
Deep learning has significantly accelerated drug discovery, with 'chemical language' processing (CLP) emerging as a prominent approach. CLP learns from molecular string representat…
Structure-based drug discovery with deep learning
Rıza Özçelik, Derek van Tilborg, José Jiménez-Luna +1
Artificial intelligence (AI) in the form of deep learning bears promise for drug discovery and chemical biology, , to predict protein structure and molecular bioacti…
Exploring Data-Driven Chemical SMILES Tokenization Approaches to Identify Key Protein-Ligand Binding Moieties
Asu Büşra Temizer, Gökçe Uludoğan, Rıza Özçelik +5
Machine learning models have found numerous successful applications in computational drug discovery. A large body of these models represents molecules as sequences since molecular…
Vapur: A Search Engine to Find Related Protein-Compound Pairs in COVID-19 Literature
Abdullatif Köksal, Hilal Dönmez, Rıza Özçelik +2
Coronavirus Disease of 2019 (COVID-19) created dire consequences globally and triggered an intense scientific effort from different domains. The resulting publications created a hu…
Data and Representation for Turkish Natural Language Inference
Emrah Budur, Rıza Özçelik, Tunga Güngör +1
Large annotated datasets in NLP are overwhelmingly in English. This is an obstacle to progress in other languages. Unfortunately, obtaining new annotated resources for each task in…