Transformer-based molecular language models have demonstrated strong capabilities for de novo molecular generation by modeling chemical structures as token sequences. However, controllable generation of molecules with desired physicochemical properties remains challenging without reinforcement learning (RL) or post-gen...
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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