A property-conditioned autoregressive transformer framework for molecular generation using the SELFIES representation, which provides a computationally efficient and stable approach for controllable molecular generation without requiring RL or graph-based modeling.
Ashish Patel, Rajesh A. Maheshwari, Atul Patel et al.· Molecular Informatics· 0 citations
This review discusses recent progress in ML, DL, and AI-based strategies for toxicity prediction, assesses their utility across major toxicity endpoints, and highlights the challenges and future research opportunities in predictive toxicology.
Anjali Mahavar, Atul Patel, Ashish Patel· Current Chemical Biology· 0 citations
A transformer-based fully fine-tuned XLNet model with 117M parameters is proposed, designed to recognize and extract named entities form general domain data and can be used for content recommendation, information retrieval in Q&A systems.
Parth Goel, A. Bhatt, Biswajeet Pradhan et al.· PeerJ Computer Science· 0 citations
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